SCHEMBL7899241

SCHEMBL7899241

COCc1ccc(-c2ccccc2C(N)=S)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 3/20 0.39
SLC6A3 Q01959 3/20 0.39
SLC6A4 P31645 2/20 0.39
BCAT2 O15382 1/20 0.39
PDK2 Q15119 1/20 0.37
ASH1L Q9NR48 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
IDO1 P14902 2/20 0.36
AGXT P21549 2/20 0.36
NAAA Q02083 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL7897100 0.85 LTB4R2 (0.43) LTB4R2SLC6A3SLC6A4BCAT2
SCHEMBL7897069 0.84 TSHR (0.47) LTB4R2BCAT2IDO1AGXTKDM4E
SCHEMBL7897893 0.82 LTB4R2 (0.41) LTB4R2
SCHEMBL7896340 0.82 SMN1; SMN2 (0.52) LTB4R2SLC6A3SLC6A4BCAT2
SCHEMBL7899207 0.82 BCAT2 (0.44) LTB4R2BCAT2PDK2
SCHEMBL7896338 0.81 LTB4R2 (0.40) LTB4R2
SCHEMBL7900736 0.80 LTB4R2 (0.40) LTB4R2
SCHEMBL7897892 0.80 TAAR1 (0.48) LTB4R2BCAT2ASH1L
SCHEMBL7889269 0.79 PPARG (0.44) LTB4R2
SCHEMBL28358608 0.79 LTB4R2 (0.57) LTB4R2

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