SCHEMBL2960

SCHEMBL2960

[c]1cccc(-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 2/20 0.38
TAAR1 Q96RJ0 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NOTUM Q6P988 1/20 0.38
MMP3 P08254 1/20 0.38
BCL2L1 Q07817 1/20 0.38
ATM Q13315 1/20 0.35
SLC22A2 O15244 1/20 0.35
SLC22A1 O15245 1/20 0.35
SLC22A3 O75751 1/20 0.35
SLC6A4 P31645 1/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAOA P21397 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33

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
SCHEMBL2448213 0.97 ALDH1A1 (0.47) ALDH1A1MAPK1TAAR1CYP1A2CYP3A4
SCHEMBL24983 0.97 ALDH1A1 (0.47) ALDH1A1MAPK1TAAR1CYP1A2CYP3A4
SCHEMBL2449105 0.93 ALDH1A1 (0.43) ALDH1A1MAPK1TAAR1CYP1A2CYP3A4
SCHEMBL1510123 0.92 ALDH1A1 (0.37) ALDH1A1CYP3A4
SCHEMBL17200847 0.92 ALDH1A1 (0.37) ALDH1A1MAPK1TAAR1CYP1A2CYP3A4
SCHEMBL610112 0.91 ALDH1A1 (0.33) ALDH1A1
SCHEMBL28471398 0.91 ALDH1A1 (0.41) ALDH1A1MAPK1TAAR1CYP1A2CYP3A4
SCHEMBL11972750 0.91 ALDH1A1 (0.41) ALDH1A1MAPK1TAAR1CYP1A2CYP3A4
SCHEMBL2449354 0.91 MAOA (0.43) ALDH1A1CYP3A4MAOAMGLLALOX5
Trimethylammonium SCHEMBL27736597 0.91 ALDH1A1 (0.41) ALDH1A1MAPK1TAAR1CYP1A2CYP3A4

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

Appears in 7246 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344695-A Hydroxyl-enriched cycloolefin copolymer long afterglow material and application thereof 重庆理工大学 2024-07-16 CN claimed
US-12041848-B2 Heterocyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2024-07-16 US claimed
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2024-05-21 US claimed
CN-115197087-B Polysubstituted cyclobutene derivative and preparation method thereof 华东师范大学 2024-05-17 CN claimed
US-20240124494-A1 METAL-ASSISTED MULTI-RESONANCE THERMALLY-ACTIVATED DELAYED-FLUORESCENCE EMITTERS FOR OLED APPLICATIONS University of Hong Kong Versitech Limited (CN) 2024-04-18 US claimed
US-20240124445-A1 BENZENE RING COMPOUND AND USE THEREOF NANJING SHIJIANG MEDICINE TECHNOLOGY CO., LTD (CN) 2024-04-18 US claimed
EP-3378853-B1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2024-04-17 EP claimed
US-11958871-B2 Inhibitors of bacterial glutaminyl cyclases for use in the treatment of periodontal and related diseases Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2024-04-16 US claimed
EP-4339259-A1 METAL-ASSISTED MULTI-RESONANCE THERMALLY-ACTIVATED DELAYED-FLUORESCENCE EMITTERS FOR OLED APPLICATIONS Versitech Limited (HK) 2024-03-20 EP claimed
EP-3749631-B1 TRIARYLMETHANE COMPOUNDS MITSUBISHI GAS CHEMICAL CO (JP) 2024-03-06 EP claimed
WO-1997035551-A1 KERATIN FIBRE DYE COMPOSITION CONTAINING PYRAZOLO-AZOLE COMPOUNDS, USE THEREOF AS DYE COUPLERS, AND DYEING METHOD L'OREAL (FR) 1997-10-02 WO claimed
WO-1996033159-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1996-10-24 WO claimed
EP-0409413-B1 Diaryl ether heterocycles ICI PLC (GB) 1994-08-03 EP claimed
US-5208259-A Lipoxygenase enzyme inhibitors IMPERIAL CHEMICAL INDUSTRIES (GB) 1993-05-04 US claimed
EP-0409413-A2 Diaryl ether heterocycles IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-23 EP claimed
CN-88101246-A 1, 5-diphenyl-1H-1, 2, 4-triazole-3-carboxamide derivatives and herbicidal compositions containing the same 1988-09-28 CN claimed
US-4714734-A POLYSILOXANE CONTAINING AROMATIC RING CONSTITUENT HAVING SMALL'S MOLECULAR ATTRACTION CONSTANT NOT SMALLER THAN 350 BRIDGESTONE CORP. (JP) 1987-12-22 US claimed
EP-0096142-A2 Microbicidal sulfonyl pyrrole CIBA-GEIGY AG (CH) 1983-12-21 EP claimed
EP-0001712-B1 (1,1'-BIPHENYL)-3-YLMETHYL 3-(2,2-DIHALOETHENYL)-2,2-DIMETHYLCYCLOPROPANECARBOXYLATES, AGRICULTURAL COMPOSITIONS AND METHODS OF USE AND MANUFACTURE FMC Corporation (US) 1981-04-15 EP claimed
US-4061617-A ANTIOXIDANT, DIELECTRIC STABILIZERS, SEMICONDUCTORS, ION EXCHANGE RESINS GENERAL ELECTRIC COMPANY (US) 1977-12-06 US claimed