SCHEMBL91981

SCHEMBL91981

COc1ccc(N)c(C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
CYP3A4 P08684 4/20 0.59
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 2/20 0.54
THRB P10828 2/20 0.54
TDP1 Q9NUW8 4/20 0.52
TSHR P16473 1/20 0.52
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
MCL1 Q07820 1/20 0.52
MAPK1 P28482 1/20 0.48
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 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
SCHEMBL29568160 1.00 ALDH1A1 (0.59) ALDH1A1CYP3A4MEN1KMT2AMAPT
Ammonia Solution, Strong SCHEMBL1854404 0.98 ALDH1A1 (0.57) ALDH1A1CYP3A4MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL8946354 0.98 ALDH1A1 (0.63) ALDH1A1CYP3A4MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL31376039 0.96 ALDH1A1 (0.55) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL30319991 0.94 ALDH1A1 (0.53) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL6182907 0.87 SMN1; SMN2 (0.52) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL486670 0.83 NR4A1 (0.61) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL109386 0.81 ALDH1A1 (0.59) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL55593 0.81 ALDH1A1 (0.59) ALDH1A1CYP3A4MEN1KMT2AMAPT
SCHEMBL8762387 0.81 NR4A1 (0.58) ALDH1A1CYP3A4MEN1KMT2AMAPT

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 1547 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119798252-A Method for preparing N-ortho-acyl substituted nitrogen-containing heterocyclic compound and amine-shrinking iron (II) complex thereof 中国石油化工股份有限公司 2025-04-11 CN claimed
CN-119751280-A Preparation method of 2-methyl-4-methoxy diphenylamine 河北建新化工股份有限公司 2025-04-04 CN claimed
CN-119143750-A Preparation method of N-ortho-alkyl substituted 1, 10-phenanthroline compound and catalyst prepared by same 中国石油化工股份有限公司 2024-12-17 CN claimed
CN-115974636-B Process method for preparing linear alpha-olefin by ethylene non-selective oligomerization 大连理工大学 2024-12-17 CN claimed
CN-119143751-A N-ortho-acyl substituted nitrogen-containing heterocyclic compound and preparation method of amine-shrinking iron (II) complex thereof 中国石油化工股份有限公司 2024-12-17 CN claimed
CN-118955264-A Method for preparing p-benzoquinone compound by oxidizing aniline compound 浙江大学 2024-11-15 CN claimed
CN-114907261-B 2-phenylaminoquinoline derivative, preparation method and application thereof 湖南中医药大学 2023-10-27 CN claimed
CN-116715591-A Novel method for preparing 2-diaryl methyl substituted aniline compound by mediation of hexafluoroisopropanol 湖南理工学院 2023-09-08 CN claimed
CN-115974636-A Process for preparing linear alpha-olefin by non-selective oligomerization of ethylene 大连理工大学 2023-04-18 CN claimed
CN-115477589-B Method for continuously preparing 2-methyl-4-methoxyaniline 山东道可化学有限公司 2023-03-24 CN claimed
US-5874443-A BIOSYNTHESIS TREGA BIOSCIENCES, INC. (US) 1999-02-23 US claimed
EP-0863877-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1998-09-16 EP claimed
EP-0659736-B1 Process for the preparation of 4-methoxy-2,2',6'-trimethyldiphenylamine MITSUI TOATSU CHEMICALS (JP) 1997-09-17 EP claimed
WO-1997016428-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-05-09 WO claimed
US-5545751-A Process for the preparation of 4-methoxy-2,2',6'-Trimethyldiphenylamine MITSUI TOATSU CHEMICALS, INC. (JP) 1996-08-13 US claimed
CN-1109868-A Process for the preparation of 4-methoxy-2,2',6'-trimethyldiphenylamine MITSUI TOATSU CHEMICALS (JP) 1995-10-11 CN claimed
EP-0659736-A1 Process for the preparation of 4-methoxy-2,2',6'-trimethyldiphenylamine MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-06-28 EP claimed
US-4995997-A Containing aromatic amine YUSHIRO CHEMICAL INDUSTRY CO., LTD. (JP) 1991-02-26 US claimed
EP-0388320-A1 Antibacterial water-soluble cutting fluids resistant to yeast-like fungi YUSHIRO CHEMICAL INDUSTRY CO. LTD. (JP) 1990-09-19 EP claimed
US-4288362-A Monoazo pigments containing a quinazo linonylacetoacetanilide coupling component BAYER AKTIENGESELLSCHAFT (DE) 1981-09-08 US claimed