SCHEMBL93291

SCHEMBL93291

CCc1ccc(N=C=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.68
TSHR P16473 1/20 0.68
CYP1A2 P05177 1/20 0.49
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
PLAU P00749 1/20 0.47
TRPA1 O75762 1/20 0.44
CYP2C9 P11712 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2A6 P11509 1/20 0.41
ALDH1A1 P00352 1/20 0.40
P2RY6 Q15077 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39

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
SCHEMBL8674507 0.87 TSHR (0.53) CYP3A4TSHRCYP1A2GABRA1GABRB2
Butane SCHEMBL16872374 0.83 CYP3A4 (0.62) CYP3A4TSHRCYP1A2GABRA1GABRB2
SCHEMBL93144 0.83 CYP3A4 (0.63) CYP3A4TSHRCYP1A2GABRA1GABRB2
Ethane SCHEMBL20537385 0.82 CYP3A4 (0.91) CYP3A4TSHRCYP1A2GABRA1GABRB2
SCHEMBL12852256 0.81 CYP3A4 (1.00) CYP3A4TSHRCYP1A2GABRA1GABRB2
SCHEMBL733010 0.81 CYP3A4 (0.74) CYP3A4TSHRCYP1A2GABRA1GABRB2
SCHEMBL962927 0.81 PLAU (0.50) CYP3A4TSHRPLAUCYP2C9MAPK1
SCHEMBL2044965 0.81 CYP3A4 (1.00) CYP3A4TSHRCYP1A2GABRA1GABRB2
SCHEMBL19943 0.81 CYP3A4 (1.00) CYP3A4TSHRCYP1A2GABRA1GABRB2
SCHEMBL1396496 0.81 CYP3A4 (1.00) CYP3A4TSHRCYP1A2GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122011880-A Sound-insulation water-based paint for building floor and preparation method thereof 广东新六维建筑装饰有限公司 2026-05-12 CN claimed
CN-119725677-A Battery cell, secondary battery and electricity utilization device 宁德时代新能源科技股份有限公司 2025-03-28 CN claimed
CN-117510429-A Compound containing methyl isoxazole structure, and preparation method and application thereof 中国农业大学 2024-02-06 CN claimed
CN-111471171-B Arylsulfonic acid intermediate, preparation method thereof and application of aryl sulfonic acid intermediate in synthesizing low-temperature-sensitivity additive for concrete 江苏苏博特新材料股份有限公司 2023-07-18 CN claimed
CN-109526952-B Glycosylated pesticide nano microcapsule and preparation method thereof 山东农业大学 2021-12-17 CN claimed
CN-110273302-B Preparation method of multifunctional superfine fiber synthetic leather 浙江梅盛实业股份有限公司 2021-07-06 CN claimed
CN-111471171-A Aryl sulfonic acid intermediate, preparation method thereof and application thereof in synthesizing low-temperature-sensitivity additive for concrete 江苏苏博特新材料股份有限公司 2020-07-31 CN claimed
CN-110273302-A A kind of preparation method of multi-functional superfine fiber chemical leather 浙江梅盛实业股份有限公司 2019-09-24 CN claimed
CN-110183377-A A kind of synthetic method of anticancer drug Rui Gefeini 浙江工业大学上虞研究院有限公司 2019-08-30 CN claimed
CN-109526952-A A kind of glycosylated pesticide nano micro-capsule and preparation method thereof 山东农业大学 2019-03-29 CN claimed
US-7674842-B2 Phase change inks containing curable isocyanate-derived compounds and phase change inducing components XEROX CORPORATION (US) 2010-03-09 US claimed
US-20090216006-A1 COVALENTLY BOUND POLYSACCHARIDE-BASED CHIRAL STATIONARY PHASES AND METHOD FOR THEIR PREPARATION XU HUI 2009-08-27 US claimed
US-20090191399-A1 PERMANENT HYDROPHILIC POROUS COATINGS ONTO A SUBSTRATE AND POROUS MEMBRANES THEREOF GENERAL ELECTRIC COMPANY (US) 2009-07-30 US claimed
US-20090191398-A1 MEMBRANES COMPRISING HYDROPHILIC COATINGS GENERAL ELECTRIC COMPANY (US) 2009-07-30 US claimed
US-7541406-B2 Phase change inks containing curable isocyanate-derived compounds XEROX CORPORATION (US) 2009-06-02 US claimed
WO-2008035956-A1 NEW BENZOXAZOLE DERIVATIVE, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME EWHA UNIVERSITY - INDUSTRY COLLABORATION FOUNDATION (KR) 2008-03-27 WO claimed
US-20070120909-A1 Phase change inks containing curable isocyanate-derived compounds and phase change inducing components XEROX CORPORATION 2007-05-31 US claimed
US-20070123642-A1 Phase change inks containing curable isocyanate-derived compounds XEROX CORPORATION 2007-05-31 US claimed
EP-1754705-A2 Antagonists for treatment of CD11/CD18 adhesion receptor mediated disorders Genentech, Inc. (US) 2007-02-21 EP claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed