SCHEMBL431298

SCHEMBL431298

Cc1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
TSHR P16473 3/20 0.67
TDP1 Q9NUW8 3/20 0.67
HSD17B10 Q99714 2/20 0.67
CYP3A4 P08684 3/20 0.60
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 1/20 0.51
HTR1E P28566 1/20 0.51
S1PR3 Q99500 1/20 0.51
PDE7A Q13946 2/20 0.50
ACHE P22303 2/20 0.50
VCAM1 P19320 1/20 0.50
PDE2A O00408 1/20 0.50
PDE5A O76074 1/20 0.50
ALOX15 P16050 1/20 0.50
NFKB1 P19838 1/20 0.50
APEX1 P27695 1/20 0.50
PDE4A P27815 1/20 0.50

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
SCHEMBL29739558 1.00 ALDH1A1 (0.67) ALDH1A1TSHRTDP1HSD17B10CYP3A4
Water SCHEMBL28737072 0.98 ALDH1A1 (0.64) ALDH1A1TSHRTDP1HSD17B10CYP3A4
Methylamine SCHEMBL11821451 0.96 ALDH1A1 (0.62) ALDH1A1TSHRTDP1HSD17B10CYP3A4
SCHEMBL305393 0.83 ALDH1A1 (0.67) ALDH1A1TSHRTDP1HSD17B10CYP3A4
Hydrogen Sulfide SCHEMBL28268108 0.82 ALDH1A1 (0.64) ALDH1A1TSHRTDP1HSD17B10CYP3A4
Ammonia Solution, Strong SCHEMBL28168781 0.82 ALDH1A1 (0.64) ALDH1A1TSHRTDP1HSD17B10CYP3A4
SCHEMBL11782945 0.81 MEN1 (0.55) ALDH1A1TSHRTDP1CYP3A4KMT2A
SCHEMBL85918 0.80 HSD17B10 (1.00) ALDH1A1TSHRTDP1HSD17B10KMT2A
SCHEMBL384312 0.80 ALDH1A1 (1.00) ALDH1A1TSHRTDP1HSD17B10CYP3A4
SCHEMBL29511002 0.80 ALDH1A1 (1.00) ALDH1A1TSHRTDP1HSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118403473-A Gas-water separation membrane framework, normal pressure VOCs self-breathing gas proton separation membrane and application thereof 辽宁东德恩环保科技有限公司 2024-07-30 CN claimed
CN-117920300-A Co (cobalt)1-NPCNT@CN catalyst and preparation method and application thereof 郑州大学 2024-04-26 CN claimed
CN-117229148-A Method for preparing o-chloronitrotoluene mixture 老河口华辰化学有限公司 2023-12-15 CN claimed
CN-114478291-A Preparation method of monomer diamine compound of polyimide 西安爱德克美新材料有限公司 2022-05-13 CN claimed
CN-114436864-A Preparation method of 2-methyl-5-aminophenol 浙江鼎龙科技股份有限公司 2022-05-06 CN claimed
CN-113636958-A Preparation method of 2-methyl-5-nitrophenylguanidine 江苏八巨药业有限公司 2021-11-12 CN claimed
CN-113214181-A New preparation method of mosapride 安徽省诚联医药科技有限公司 2021-08-06 CN claimed
CN-110639552-A Platinum-based composite carbon-aluminum catalyst and method for continuously producing 2B oil 西安凯立新材料股份有限公司 2020-01-03 CN claimed
EP-1928928-B1 METHOD FOR THE PRODUCTION OF POLYISOCYANATES HUNTSMAN INT LLC (US) 2018-02-21 EP claimed
CN-105237317-A Combined production method for substituted benzaldehyde, substituted benzyl alcohol and substituted benzoic acid QUZHOU QUNYING CHEMICAL INDUSTRY CO LTD 2016-01-13 CN claimed
EP-0272728-A2 Process for the preparation of polymers of C0 and olefinically unsaturated compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-06-29 EP claimed
US-4734532-A HIGH SPEED OXIDATIVE DIMERIZATION OF 4-NITROTOLUENE BAYER AKTIENGESELLSCHAFT (DE) 1988-03-29 US claimed
EP-0250037-A2 Process for the preparation of urea derivatives and catalyst system SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-12-23 EP claimed
EP-0128563-A2 Improved antifoggant process E.I. DU PONT DE NEMOURS AND COMPANY (US) 1984-12-19 EP claimed
US-4468454-A NEGATIVE SILVER HALIDE EMULSIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-08-28 US claimed
US-4456777-A Process for the preparation of 2-chloro-4-nitrotoluene BAYER AKTIENGESELLSCHAFT (DE) 1984-06-26 US claimed
EP-0071038-B1 PROCESS FOR THE PREPARATION OF 2-CHLORO-4-NITROTOLUENE BAYER AG (DE) 1984-06-06 EP claimed
EP-0071038-A1 Process for the preparation of 2-chloro-4-nitrotoluene BAYER AG (DE) 1983-02-09 EP claimed
EP-0000805-A1 Catalytic hydrogenation process for the manufacture of chlorinated aromatic amines The Clayton Aniline Company Limited (GB) 1979-02-21 EP claimed
US-4124768-A Process for preparing pure substituted 2,5-diarylamino-terephthalates and the corresponding free acids HOECHST AKTIENGESELLSCHAFT 1978-11-07 US claimed