SCHEMBL7889293

SCHEMBL7889293

NC(=S)c1ccccc1-c1ccc(CCCCCCCCOCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
SPHK1 Q9NYA1 2/20 0.46
LPAR1 Q92633 4/20 0.40
NAAA Q02083 1/20 0.40
UGCG Q16739 6/20 0.39
GBA2 Q9HCG7 6/20 0.39
GBA1 P04062 5/20 0.39
LCT P09848 2/20 0.39
SI P14410 2/20 0.39
MGAM O43451 1/20 0.39
LTA4H P09960 1/20 0.38
EPHX2 P34913 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL7896330 0.99 L3MBTL1 (0.50) L3MBTL1TDP1SPHK1LPAR1NAAA
SCHEMBL7889271 0.95 L3MBTL1 (0.45) L3MBTL1TDP1SPHK1LPAR1NAAA
SCHEMBL7896978 0.90 L3MBTL1 (0.38) L3MBTL1TDP1SPHK1LPAR1NAAA
SCHEMBL7896344 0.90 L3MBTL1 (0.62) L3MBTL1TDP1SPHK1LPAR1UGCG
SCHEMBL7897813 0.89 L3MBTL1 (0.60) L3MBTL1TDP1LPAR1UGCGGBA2
SCHEMBL7897069 0.86 TSHR (0.47)
SCHEMBL7889248 0.85 L3MBTL1 (0.55) L3MBTL1TDP1LPAR1UGCGGBA2
SCHEMBL7900736 0.84 LTB4R2 (0.40) L3MBTL1TDP1LPAR1
SCHEMBL7896338 0.82 LTB4R2 (0.40) LPAR1
SCHEMBL7889289 0.82 CA2 (0.43) LPAR1LTA4HEPHX2

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