SCHEMBL7900736

SCHEMBL7900736

COCCCCCCCCc1ccc(-c2ccccc2C(N)=S)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 3/20 0.40
LPAR1 Q92633 7/20 0.39
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 3/20 0.38
PDE4D Q08499 3/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PPARG P37231 2/20 0.37
MLNR O43193 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL7896338 0.99 LTB4R2 (0.40) LTB4R2LPAR1PDE4APDE4BPDE4C
SCHEMBL7897893 0.95 LTB4R2 (0.41) LTB4R2LPAR1MLNRALDH1A1NPSR1
SCHEMBL7897100 0.89 LTB4R2 (0.43) LTB4R2LPAR1
SCHEMBL7896980 0.85 PPARG (0.48) LTB4R2PPARGALDH1A1
SCHEMBL7896352 0.85 PPARG (0.48) LTB4R2PPARGALDH1A1
SCHEMBL7889289 0.85 CA2 (0.43) LTB4R2LPAR1PPARG
SCHEMBL7896344 0.84 L3MBTL1 (0.62) LTB4R2LPAR1TDP1L3MBTL1ALDH1A1
SCHEMBL7889293 0.84 L3MBTL1 (0.52) LPAR1TDP1L3MBTL1
SCHEMBL7900656 0.83 MAOA (0.47) LTB4R2LPAR1PPARG
SCHEMBL7900734 0.83 CA2 (0.41) LTB4R2LPAR1PPARG

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