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Sugi Predict / Compounds / Nitrobenzene

Nitrobenzene

Nitrobenzene

SCHEMBL27723328

Nc1ccc(O)cc1.O=[N+]([O-])c1ccccc1

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.63
▸ LMNA P02545 2/20 0.61
▸ KMT2A Q03164 5/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ MAPT P10636 2/20 0.52
▸ ALOX15 P16050 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ CA3 P07451 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ CA6 P23280 1/20 0.50
▸ CASP1 P29466 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ CA14 Q9ULX7 1/20 0.50
▸ ESR1 P03372 2/20 0.49
▸ CYP19A1 P11511 2/20 0.49
▸ ESR2 Q92731 2/20 0.49
▸ CES2 O00748 1/20 0.47
▸ CES1 P23141 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
4-Nitroaniline SCHEMBL28750534 0.92 ALDH1A1 (0.69) ALDH1A1LMNAKMT2AMEN1MAPT
P-Nitrophenol SCHEMBL27578090 0.90 ALDH1A1 (0.78) ALDH1A1KMT2AMEN1MAPTALOX15
4-Nitroaniline SCHEMBL8612088 0.90 ALDH1A1 (0.78) ALDH1A1KMT2AMEN1MAPTALOX15
Nitrobenzene SCHEMBL7562300 0.90 ALDH1A1 (0.76) ALDH1A1LMNAKMT2AMEN1MAPT
Nitrobenzene SCHEMBL10947937 0.90 ALDH1A1 (0.77) ALDH1A1LMNAKMT2AMEN1MAPT
P-Nitrophenol SCHEMBL28122623 0.88 ALDH1A1 (0.73) ALDH1A1LMNAKMT2AMEN1MAPT
Nitrobenzene SCHEMBL28494191 0.88 ALDH1A1 (0.74) ALDH1A1LMNAKMT2AMEN1MAPT
Nitrobenzene SCHEMBL27355218 0.86 ALDH1A1 (0.76) ALDH1A1LMNAKMT2AMEN1MAPT
Nitrobenzene SCHEMBL718033 0.86 ALDH1A1 (0.76) ALDH1A1LMNAKMT2AMEN1MAPT
Nitrobenzene SCHEMBL28671223 0.84 ALDH1A1 (0.67) ALDH1A1LMNAKMT2AMEN1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103936660-B The preparation method and application of N-methyl-2-phenyl-3, the 4-soccerballene base tetramethyleneimine of a kind of micron of acicular structure HUANGSHAN UNIVERSITY (CN) 2016-03-23 — — CN claimed
CN-103951606-B The preparation method and application of N-methyl-2-phenyl-3, the 4-soccerballene base tetramethyleneimine of a kind of micron of leaf shape structure HUANGSHAN UNIVERSITY (CN) 2016-02-24 — — CN claimed
CN-102658125-B Catalytic agent for preparing p-aminophenol by using nitrobenzene catalytic hydrogenation and preparation method thereof UNIV ANHUI SCI & TECHNOLOGY 2014-11-26 — — CN claimed
CN-103951606-A Preparation method and application of N-methyl-2-phenyl-3,4-fulleropyrrolidine of micron leaf structure UNIV HUANGSHAN 2014-07-30 — — CN claimed
CN-103936660-A Preparation method and application of micron acicular-structure N-methyl-2-phenyl-3,4-fullerenylpyrrolidine UNIV HUANGSHAN 2014-07-23 — — CN claimed
CN-108014785-A A kind of production method of platinum/coke/Attapulgite Catalyst of three-dimensional structure and its application in hydrogenation of chloronitrobenzene 苏州艾缇克药物化学有限公司 2018-05-11 — — CN disclosed
CN-107930645-A A kind of porous carbon ceramic catalyst for loading silver sodium tantalum-niobate and its application in catalytic hydrogenation reaction 苏州艾缇克药物化学有限公司 2018-04-20 — — CN disclosed
CN-107382825-A Preparation method of N-methyl-2- (3-methoxy-4-hydroxyphenyl) -3, 4-fullerene pyrrolidine 黄山学院 2017-11-24 — — CN disclosed
CN-107245051-A Preparation method of N-methyl-2- (4-nitrophenyl) -3, 4-fullerene pyrrolidine 黄山学院 2017-10-13 — — CN disclosed
CN-105218430-B A kind of fullerene derivate and preparation method and application 黄山学院 2017-06-09 — — CN disclosed
CN-105669529-A Fullerene pyrrolidine derivative and preparation method thereof 黄山学院 2016-06-15 — — CN disclosed
CN-103936660-B The preparation method and application of N-methyl-2-phenyl-3, the 4-soccerballene base tetramethyleneimine of a kind of micron of acicular structure HUANGSHAN UNIVERSITY (CN) 2016-03-23 — — CN disclosed
CN-102658125-B Catalytic agent for preparing p-aminophenol by using nitrobenzene catalytic hydrogenation and preparation method thereof UNIV ANHUI SCI & TECHNOLOGY 2014-11-26 — — CN disclosed
CN-104140964-A Method for preparing engineering bacteria for removing benzene contained in waste water UNIV CHANGZHOU 2014-11-12 — — CN disclosed
CN-103951606-A Preparation method and application of N-methyl-2-phenyl-3,4-fulleropyrrolidine of micron leaf structure UNIV HUANGSHAN 2014-07-30 — — CN disclosed
CN-103936660-A Preparation method and application of micron acicular-structure N-methyl-2-phenyl-3,4-fullerenylpyrrolidine UNIV HUANGSHAN 2014-07-23 — — CN disclosed
CN-101990461-A Single step catalytic preparation of p-aminophenol CENTRE NAT RECH SCIENT 2011-03-23 — — CN disclosed
CN-100551533-C The catalyst and the methods for making and using same thereof that are used for the synthetic para-aminophenol of nitrobenzene catalytic hydrogenation UNIV HEBEI TECHNOLOGY (CN) 2009-10-21 — — CN disclosed
CN-101391227-A Homogeneous phase dual-function catalyst for synthesizing p-aminophenol and preparation and use method thereof UNIV HEBEI TECHNOLOGY (CN) 2009-03-25 — — CN disclosed
CN-101176852-A Catalyzer for synthesizing p-aminophenol by nitrobenzene catalytic hydrogenation as well as method for preparing and applying the same UNIV HEBEI TECHNOLOGY (CN) 2008-05-14 — — CN disclosed