SCHEMBL7897892

SCHEMBL7897892

NCc1ccc(-c2ccccc2C(N)=S)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.48
HRH3 Q9Y5N1 1/20 0.45
BCAT2 O15382 1/20 0.43
LOXL2 Q9Y4K0 2/20 0.40
ASH1L Q9NR48 2/20 0.40
ADRB2 P07550 1/20 0.39
MAOB P27338 2/20 0.39
CSNK2A1 P68400 2/20 0.39
LTA4H P09960 1/20 0.38
ABAT P80404 1/20 0.38
F10 P00742 1/20 0.37
DPP4 P27487 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
CD274 Q9NZQ7 1/20 0.37

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
SCHEMBL7899207 0.87 BCAT2 (0.44) BCAT2MAOBLTA4HLTB4R2
SCHEMBL7900715 0.86 MAOB (0.56) TAAR1BCAT2LOXL2MAOB
SCHEMBL7897093 0.84 BCAT2 (0.42) BCAT2MAOBLTB4R2
SCHEMBL7889274 0.84 BCAT2 (0.42) BCAT2MAOBLTB4R2
SCHEMBL7896340 0.84 SMN1; SMN2 (0.52) BCAT2LTB4R2
SCHEMBL7899173 0.84 TDP1 (0.45) BCAT2MAOBLTB4R2
SCHEMBL7900737 0.83 MAOB (0.45) BCAT2MAOBLTB4R2
SCHEMBL7900727 0.82 MAOA (0.49) BCAT2MAOBLTB4R2
SCHEMBL500761 0.82 BCAT2 (0.67) TAAR1HRH3BCAT2LTB4R2
SCHEMBL7889284 0.81 TDP1 (0.42) BCAT2MAOBLTB4R2

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