SCHEMBL7899237

SCHEMBL7899237

NC(=S)c1ccccc1-c1ccc(CCCO)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.42
LTA4H P09960 1/20 0.41
EPHX2 P34913 1/20 0.41
CA2 P00918 1/20 0.40
BCAT2 O15382 1/20 0.40
MAOB P27338 2/20 0.39
LTB4R2 Q9NPC1 4/20 0.38
BRS3 P32247 3/20 0.38
GPR52 Q9Y2T5 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
SCHEMBL7900734 0.95 CA2 (0.41) LPAR1LTA4HEPHX2CA2BCAT2
SCHEMBL7889289 0.94 CA2 (0.43) LPAR1LTA4HEPHX2CA2BCAT2
SCHEMBL7899173 0.90 TDP1 (0.45) LPAR1CA2BCAT2MAOBLTB4R2
SCHEMBL7900737 0.89 MAOB (0.45) LPAR1BCAT2MAOBLTB4R2BRS3
SCHEMBL7900740 0.88 LPAR1 (0.40) LPAR1BCAT2MAOBLTB4R2BRS3
SCHEMBL7900727 0.88 MAOA (0.49) LPAR1BCAT2MAOBLTB4R2BRS3
SCHEMBL7900739 0.88 BRS3 (0.49) LTB4R2BRS3
SCHEMBL7900656 0.86 MAOA (0.47) LPAR1BCAT2MAOBLTB4R2BRS3
SCHEMBL7897049 0.86 LPAR1 (0.42) LPAR1BCAT2MAOBLTB4R2BRS3
SCHEMBL7900715 0.85 MAOB (0.56) BCAT2MAOB

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