SCHEMBL7896352

SCHEMBL7896352

CCCCCCCCc1ccc(-c2ccccc2C(N)=S)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.48
ESR1 P03372 2/20 0.46
ADRA2A P08913 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
TACR2 P21452 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HTR2A P28223 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
SHBG P04278 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
HSPD1 P10809 1/20 0.46
ADRB3 P13945 1/20 0.46
HTR2C P28335 1/20 0.46
HSPE1 P61604 1/20 0.46
HIF1A Q16665 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
SCHEMBL7896980 1.00 PPARG (0.48) PPARGESR1ADRA2AADORA3TACR2
SCHEMBL7900739 0.94 BRS3 (0.49) PPARGRARBLTB4R2BRS3
SCHEMBL7889289 0.88 CA2 (0.43) PPARGLTB4R2BRS3
SCHEMBL7889269 0.88 PPARG (0.44) PPARGLTB4R2BRS3
SCHEMBL7900656 0.87 MAOA (0.47) PPARGHTR2ALTB4R2BRS3
SCHEMBL7900734 0.87 CA2 (0.41) PPARGLTB4R2BRS3
SCHEMBL7897906 0.86 LPAR1 (0.41) PPARGLTB4R2BRS3
SCHEMBL7900727 0.85 MAOA (0.49) PPARGHTR2ALTB4R2BRS3
SCHEMBL7899237 0.85 LPAR1 (0.42) LTB4R2BRS3
SCHEMBL7900736 0.85 LTB4R2 (0.40) PPARGALDH1A1LTB4R2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6277998-B1 REACTING 2-CYANO-4-OXO-4H-BENZOPYRAN COMPOUND WITH HYDROGEN SULFIDE AND THEN REACTING PROUDCT WITH ALKYL HALIDE; REACTING THE PRODUCT WITH HYDRAZINE OR ITS SALT AND THEN WITH NITROUS ACID COMPOUND TO OBTAIN TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-21 US disclosed
US-6191289-B1 REACTING A 4-OXO-4H-BENZOPYRAN GROUP SUBSTITUTED WITH AMIDE OR A PHENYL GROUP IN ITS 2 POSITION IS REACTED WITH ANHYDROUS HYDRAZINE OR SALT IN PRESENCE OF CATALYST FOLLOWED BY REACTING WITH NITROUS ACID OR SALT TO FORM TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-20 US disclosed
US-5874593-A SULFUR CONTAINING AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP disclosed