SCHEMBL139543

SCHEMBL139543

CC(N)c1cc2ccccc2s1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.55
CYP1A2 P05177 2/20 0.55
PTGES O14684 1/20 0.55
LMNA P02545 1/20 0.55
LTA4H P09960 1/20 0.55
GAA P10253 1/20 0.55
ALOX15 P16050 1/20 0.55
ALOX12 P18054 1/20 0.55
ALOX5AP P20292 1/20 0.55
LOX P28300 1/20 0.55
EPHX2 P34913 1/20 0.55
PTGS2 P35354 1/20 0.55
LTB4R Q15722 1/20 0.55
SIGMAR1 Q99720 2/20 0.46
CYP2A6 P11509 1/20 0.46
ASIC3 Q9UHC3 1/20 0.46
LOXL2 Q9Y4K0 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
SCHEMBL30238692 1.00 ALOX5 (0.55) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL28657389 1.00 ALOX5 (0.55) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL79534 0.83 ALOX5 (0.54) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL1444769 0.80 ALOX5 (0.55) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL2161082 0.80 ALOX5 (0.51) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL16399862 0.80 ALOX5 (0.55) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL1706446 0.80 ALOX5 (0.51) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL4361286 0.80 ALOX5 (0.51) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL9602556 0.79 ALOX5 (0.51) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL9565151 0.79 ALOX5 (0.48) ALOX5CYP1A2PTGESLMNALTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116096715-A Beneficial benzothiophene compositions for mental disorders or enhancement 泰科根公司 2023-05-09 CN disclosed
EP-3917914-A1 DIAMINO-SUBSTITUTED PYRIDINES AND PYRIMIDINES AS HERBICIDES FMC CORPORATION (US) 2021-12-08 EP disclosed
CN-113646300-A Diamino-substituted pyridines and pyrimidines as herbicides FMC公司 2021-11-12 CN disclosed
EP-3760620-A1 RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USAGE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2021-01-06 EP disclosed
WO-2020160202-A1 DIAMINO-SUBSTITUTED PYRIDINES AND PYRIMIDINES AS HERBICIDES FMC CORPORATION (US) 2020-08-06 WO disclosed
WO-2018048930-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 WO disclosed
WO-2017079867-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2017-05-18 WO disclosed
US-8883824-B2 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-11 US disclosed
EP-1575951-B1 HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY DEBIOPHARM INT SA (CH) 2014-06-25 EP disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
WO-2004052890-A1 HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY AFFINIUM PHARMACEUTICALS, INC. (CA) 2004-06-24 WO disclosed
EP-0589784-B1 2-Ethyl-benzo(b)thiophene derivative, process of its preparation and its use as intermediate for synthesis SANOFI SA (FR) 1997-12-17 EP disclosed
US-5420300-A Chemical intermediate for leukotriene inhibitor ELF SANOFI (FR) 1995-05-30 US disclosed
EP-0589784-A1 2-Ethyl-benzo(b)thiophene derivative, process of its preparation and its use as intermediate for synthesis SANOFI (FR) 1994-03-30 EP disclosed
EP-0283522-B1 TRIAZINE DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE CONTAINING SAME AS EFFECTIVE INGREDIENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1991-02-27 EP disclosed
US-4932998-A LOW PHYTOTOXICITY FOR PADDY RICE PLANTS IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-06-12 US disclosed
EP-0216259-B1 TRIAZINE DERIVATIVES, A PROCESS FOR PREPARATION OF THE DERIVATIVES, AND HERBICIDES CONTAINING THE DERIVATIVES AS THE EFFECTIVE COMPONENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-02-28 EP disclosed
EP-0283522-A1 TRIAZINE DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE CONTAINING SAME AS EFFECTIVE INGREDIENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-09-28 EP disclosed
US-4740230-A Triazine derivatives, and herbicides containing the derivatives as the effective component IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-04-26 US disclosed
EP-0216259-A1 Triazine derivatives, a process for preparation of the derivatives, and herbicides containing the derivatives as the effective component IDEMITSU KOSAN COMPANY LIMITED (JP) 1987-04-01 EP disclosed