SCHEMBL7900727

SCHEMBL7900727

NCCCCc1ccc(-c2ccccc2C(N)=S)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.49
MAOB P27338 3/20 0.44
LPAR1 Q92633 3/20 0.40
HTR2A P28223 1/20 0.40
AKT2 P31751 1/20 0.38
HRH1 P35367 2/20 0.38
BCAT2 O15382 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.37
BRS3 P32247 1/20 0.36
PPARG P37231 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL7900656 0.98 MAOA (0.47) MAOAMAOBLPAR1HTR2AAKT2
SCHEMBL7900737 0.95 MAOB (0.45) MAOAMAOBLPAR1HTR2AAKT2
SCHEMBL7900734 0.89 CA2 (0.41) MAOBLPAR1BCAT2LTB4R2BRS3
SCHEMBL7900715 0.89 MAOB (0.56) MAOBHTR2AAKT2BCAT2
SCHEMBL7889289 0.88 CA2 (0.43) MAOBLPAR1BCAT2LTB4R2BRS3
SCHEMBL7899237 0.88 LPAR1 (0.42) MAOBLPAR1BCAT2LTB4R2BRS3
SCHEMBL7897049 0.87 LPAR1 (0.42) MAOBLPAR1BCAT2LTB4R2BRS3
SCHEMBL7897906 0.85 LPAR1 (0.41) MAOBLPAR1BCAT2LTB4R2BRS3
SCHEMBL7896352 0.85 PPARG (0.48) HTR2ALTB4R2BRS3PPARG
SCHEMBL7896980 0.85 PPARG (0.48) HTR2ALTB4R2BRS3PPARG

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