SCHEMBL7897100

SCHEMBL7897100

COCCc1ccc(-c2ccccc2C(N)=S)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 2/20 0.43
TSHR P16473 1/20 0.38
LPAR1 Q92633 4/20 0.37
SLC6A3 Q01959 3/20 0.37
SLC6A4 P31645 2/20 0.37
BRS3 P32247 3/20 0.37
BCAT2 O15382 1/20 0.37
MAOB P27338 2/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 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
SCHEMBL7897893 0.92 LTB4R2 (0.41) LTB4R2LPAR1BRS3
SCHEMBL7896338 0.90 LTB4R2 (0.40) LTB4R2LPAR1BRS3
SCHEMBL7900736 0.89 LTB4R2 (0.40) LTB4R2LPAR1
SCHEMBL7899241 0.85 LTB4R2 (0.39) LTB4R2SLC6A3SLC6A4BCAT2
SCHEMBL7889269 0.83 PPARG (0.44) LTB4R2BRS3
SCHEMBL7899173 0.83 TDP1 (0.45) LTB4R2LPAR1BRS3BCAT2MAOB
SCHEMBL7900729 0.82 TDP1 (0.48) LTB4R2LPAR1BRS3MAOB
SCHEMBL7896978 0.82 L3MBTL1 (0.38) TSHRLPAR1BRS3BCAT2
SCHEMBL7900715 0.81 MAOB (0.56) BCAT2MAOB
SCHEMBL7900739 0.81 BRS3 (0.49) LTB4R2BRS3

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