Nitrobenzene

Nitrobenzene

SCHEMBL718033

Nc1ccccc1.O=[N+]([O-])c1ccccc1

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.76
LMNA P02545 2/20 0.76
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPT P10636 1/20 0.55
TSHR P16473 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
CRHBP P24387 1/20 0.52
ATM Q13315 1/20 0.52
CRHR2 Q13324 1/20 0.52
TLR9 Q9NR96 1/20 0.52
HPGD P15428 1/20 0.52
ALOX12 P18054 1/20 0.52
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
ESR1 P03372 1/20 0.47
CYP19A1 P11511 1/20 0.47
ESR2 Q92731 1/20 0.47
NFE2L2 Q16236 1/20 0.47
CASP3 P42574 1/20 0.46

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
Nitrobenzene SCHEMBL10947937 0.95 ALDH1A1 (0.77) ALDH1A1LMNAMEN1KMT2AMAPT
Nitrobenzene SCHEMBL28671223 0.94 ALDH1A1 (0.67) ALDH1A1LMNAMEN1KMT2AMAPT
Nitrobenzene SCHEMBL28494191 0.93 ALDH1A1 (0.74) ALDH1A1LMNAMEN1KMT2AMAPT
Benzidine SCHEMBL28853950 0.89 ALDH1A1 (0.68) ALDH1A1LMNAMEN1KMT2AMAPT
Nitrobenzene SCHEMBL28089388 0.87 ALDH1A1 (0.89) ALDH1A1LMNAMEN1KMT2ATSHR
Nitrobenzene SCHEMBL2358164 0.87 ALDH1A1 (1.00) ALDH1A1LMNAMEN1KMT2ATSHR
Nitrobenzene SCHEMBL9669095 0.87
Nitrobenzene SCHEMBL15525745 0.87 ALDH1A1 (1.00) ALDH1A1LMNAMEN1KMT2ATSHR
Nitrobenzene SCHEMBL1330714 0.87
Nitrobenzene SCHEMBL2255264 0.87 ALDH1A1 (1.00) ALDH1A1LMNAMEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118217660-A Device and method for purifying phenazine mixture as byproduct in production of RT (reverse transcription) pessary by nitrobenzene method 山东尚舜化工有限公司 2024-06-21 CN claimed
CN-117414878-A Impurity removal and recovery method for waste catalyst in aniline-nitrobenzene condensation reaction 青岛科技大学 2024-01-19 CN claimed
CN-117402071-A Post-treatment method of aniline-nitrobenzene condensation reducing solution 青岛科技大学 2024-01-16 CN claimed
CN-117402067-A Method for sectional condensation reaction of aniline and nitrobenzene 青岛科技大学 2024-01-16 CN claimed
CN-107118108-B A kind of catalytic hydrogenation method of aniline-nitrobenzene condensation liquid 青岛科技大学 2018-07-20 CN claimed
CN-108152443-A A kind of chloride ion conductor method in aniline-nitrobenzene condensation reaction recycling catalyst feed liquid 青岛科技大学 2018-06-12 CN claimed
CN-107597160-A The preparation method of silicon dioxide carried carbon nitrogen cladding cobalt ruthenium catalyst and its method for unsaturated compound catalysis transfer hydrogenation 湖北大学 2018-01-19 CN claimed
CN-107118108-A A kind of catalytic hydrogenation method of aniline nitrobenzene condensation liquid 青岛科技大学 2017-09-01 CN claimed
CN-106565504-A Method for preparing aniline through liquid-phase hydrogenation of nitrobenzene 中国石油化工股份有限公司 2017-04-19 CN claimed
CN-117466747-A Preparation method of anti-aging agent 汤阴永新化学有限责任公司 2024-01-30 CN disclosed
CN-117466747-A Preparation method of anti-aging agent 汤阴永新化学有限责任公司 2024-01-30 CN disclosed
CN-117414878-A Impurity removal and recovery method for waste catalyst in aniline-nitrobenzene condensation reaction 青岛科技大学 2024-01-19 CN disclosed
CN-117414878-A Impurity removal and recovery method for waste catalyst in aniline-nitrobenzene condensation reaction 青岛科技大学 2024-01-19 CN disclosed
CN-117414878-A Impurity removal and recovery method for waste catalyst in aniline-nitrobenzene condensation reaction 青岛科技大学 2024-01-19 CN disclosed
EP-0599269-A1 Compositions comprising sulfur-containing derivatives of hydroxyphenylbenzotriazole and process therefor PHILLIPS PETROLEUM COMPANY (US) 1994-06-01 EP disclosed
US-5274015-A And a polyarylene sulfide polymer PHILLIPS PETROLEUM COMPANY (US) 1993-12-28 US disclosed
US-5268450-A Reating sodium hydrosulfide with a sulfur containing hydroxyphenylbenztriazole PHILLIPS PETROLEUM COMPANY (US) 1993-12-07 US disclosed
CN-1056489-A The preparation method of high-purity aniline MITSUI TOATSU CHEMICALS (JP) 1991-11-27 CN disclosed
US-5028644-A Incorporating Nigrosine As A Stabilizer BAYER AKTIENGESELLSCHAFT, A CORP. OF GERMANY (DE) 1991-07-02 US disclosed
US-4297501-A BY REACTING PRIMARY AMINES, CARBON MONOXIDE AND AN ORGANIC ALCOHOL IN THE PRESENCE OF OXYGEN AND A METAL CATALYST SYSTEM BAYER AKTIENGESELLSCHAFT (DE) 1981-10-27 US disclosed