SCHEMBL7899173

SCHEMBL7899173

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
BCAT2 O15382 1/20 0.42
MAOB P27338 2/20 0.41
CA2 P00918 2/20 0.39
PTGS2 P35354 1/20 0.38
BRS3 P32247 3/20 0.38
LPAR1 Q92633 1/20 0.38
GPR52 Q9Y2T5 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.36
PPARG P37231 1/20 0.36
SIRT1 Q96EB6 1/20 0.35

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
SCHEMBL7899237 0.90 LPAR1 (0.42) BCAT2MAOBCA2BRS3LPAR1
SCHEMBL7900734 0.89 CA2 (0.41) BCAT2MAOBCA2BRS3LPAR1
SCHEMBL7900715 0.88 MAOB (0.56) TDP1BCAT2MAOB
SCHEMBL7889289 0.87 CA2 (0.43) BCAT2MAOBCA2BRS3LPAR1
SCHEMBL7889284 0.87 TDP1 (0.42) TDP1BCAT2MAOBBRS3LPAR1
SCHEMBL7889269 0.87 PPARG (0.44) BRS3LTB4R2PPARG
SCHEMBL7899207 0.86 BCAT2 (0.44) BCAT2MAOBLTB4R2
SCHEMBL7900737 0.85 MAOB (0.45) BCAT2MAOBBRS3LPAR1LTB4R2
SCHEMBL7897892 0.84 TAAR1 (0.48) BCAT2MAOBLTB4R2
SCHEMBL7900739 0.84 BRS3 (0.49) BRS3LTB4R2PPARG

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