SCHEMBL44392

SCHEMBL44392

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 1.00
TDP1 Q9NUW8 4/20 1.00
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
S100A4 P26447 2/20 0.50
HSD17B10 Q99714 2/20 0.50
PTPN1 P18031 1/20 0.50
TSHR P16473 1/20 0.50
PTPRC P08575 1/20 0.50
ADAMTS4 O75173 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
MAPK1 P28482 2/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 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
Benzene SCHEMBL28038982 1.00 ALDH1A1 (1.00) ALDH1A1TDP1CRHBPCRHR2S100A4
SCHEMBL30196067 1.00 ALDH1A1 (1.00) ALDH1A1TDP1CRHBPCRHR2S100A4
Water SCHEMBL1828402 0.98 ALDH1A1 (0.96) ALDH1A1TDP1CRHBPCRHR2S100A4
Biphenyl SCHEMBL7209601 0.98 ALDH1A1 (0.96) ALDH1A1TDP1CRHBPCRHR2S100A4
Methane SCHEMBL2186810 0.98 ALDH1A1 (0.96) ALDH1A1TDP1CRHBPCRHR2S100A4
Water SCHEMBL2045405 0.98 ALDH1A1 (0.96) ALDH1A1TDP1CRHBPCRHR2S100A4
Hydrogen Sulfide SCHEMBL9671158 0.98 ALDH1A1 (0.96) ALDH1A1TDP1CRHBPCRHR2S100A4
SCHEMBL29180134 0.96 ALDH1A1 (0.92) ALDH1A1TDP1CRHBPCRHR2S100A4
SCHEMBL2958562 0.96 ALDH1A1 (0.92) ALDH1A1TDP1CRHBPCRHR2S100A4
Formaldehyde SCHEMBL28138834 0.96 ALDH1A1 (0.92) ALDH1A1TDP1CRHBPCRHR2S100A4

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 1369 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122032423-A Catalyst for continuous production of 4' -chloro-2-aminobiphenyl, reaction system and process 厦门嘉氢科技有限公司 2026-05-15 CN claimed
CN-118812366-A Method for synthesizing o-nitrobiphenyl compounds by immobilized Pd catalysis 江苏中旗科技股份有限公司 2024-10-22 CN claimed
CN-118271156-A Process for preparing o-phenylphenol 山东青科农牧发展有限公司 2024-07-02 CN claimed
CN-117920223-A Application of magnetic iron-nickel spinel in preparation of aromatic amine compound by catalytic hydrogenation of aromatic nitro compound 兰州大学 2024-04-26 CN claimed
US-11932813-B2 Electrochromic materials; preparation and use thereof UNIVERSITY OF CONNECTICUT (US) 2024-03-19 US claimed
WO-2024013308-A2 METHOD OF REDUCING NITRO COMPOUNDS THE UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) 2024-01-18 WO claimed
EP-3606906-B1 HETEROGENEOUS CATALYSTS FOR THE DIRECT CARBONYLATION OF NITRO AROMATIC COMPOUNDS TO ISOCYANATES BASF SE (DE) 2023-12-27 EP claimed
CN-117160452-A Supported iridium-indium bimetallic catalyst for aromatic nitro reduction methylation and preparation method and application thereof 浙江大学衢州研究院 2023-12-05 CN claimed
CN-117088776-A Method for preparing 2-nitrobiphenyl compound 江西天宇化工有限公司 2023-11-21 CN claimed
CN-117088777-A Method for preparing 2-nitrobiphenyl compound 南通泰禾化工股份有限公司 2023-11-21 CN claimed
EP-0304725-B1 PROCESS FOR THE PREPARATION OF NITRO-DIPHENYL(THIO) ETHERS BAYER AG (DE) 1992-01-22 EP claimed
EP-0463931-A1 Amorphous copolymers, translucent to visible light, for applications in non linear optics THOMSON-CSF (FR) 1992-01-02 EP claimed
EP-0400299-A1 A method of manufacturing aromatic urethanes NKK CORPORATION (JP) 1990-12-05 EP claimed
US-4952401-A Rodenticide for toxic wick ICI AMERICAS INC. (US) 1990-08-28 US claimed
EP-0317260-A2 Transportable compositions containing a toxicant and a method of producing and using the same ICI AMERICAS INC. (US) 1989-05-24 EP claimed
EP-0310907-A1 Method of manufacturing aromatic urethane NKK CORPORATION (JP) 1989-04-12 EP claimed
US-4752554-A Optical information recording medium RICOH CO., LTD. (JP) 1988-06-21 US claimed
US-4480096-A COLOR FORMERS FOR PRESSURE SENSITIVE OR HEAT SENSITIVE RECORDING CIBA-GEIGY CORPORATION (US) 1984-10-30 US claimed
US-4435003-A COLOR FORMERS IN PRESSURE AND/OR HEAT SENSITIVE RECORDING MATERIALS CIBA-GEIGY CORPORATION (US) 1984-03-06 US claimed
US-4151165-A USING AN AROMATIC NITRO COMPOUND IN OXYGEN-FREE, AQUEOUS ENVIRONMENT ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1979-04-24 US claimed