SCHEMBL7889271

SCHEMBL7889271

NC(=S)c1ccccc1-c1ccc(CCCOCc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 1/20 0.41
NAAA Q02083 1/20 0.41
LPAR1 Q92633 5/20 0.41
SPHK1 Q9NYA1 2/20 0.40
LTA4H P09960 1/20 0.40
EPHX2 P34913 1/20 0.40
IDO1 P14902 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 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 0.96 L3MBTL1 (0.50) L3MBTL1TDP1LMNANAAALPAR1
SCHEMBL7889293 0.95 L3MBTL1 (0.52) L3MBTL1TDP1LMNANAAALPAR1
SCHEMBL7896978 0.92 L3MBTL1 (0.38) L3MBTL1TDP1NAAALPAR1SPHK1
SCHEMBL7889248 0.89 L3MBTL1 (0.55) L3MBTL1TDP1LMNALPAR1LTB4R2
SCHEMBL7897069 0.88 TSHR (0.47) IDO1LTB4R2CHRNB2CHRNB4CHRNA3
SCHEMBL7897813 0.86 L3MBTL1 (0.60) L3MBTL1TDP1LMNALPAR1LTB4R2
SCHEMBL7896344 0.85 L3MBTL1 (0.62) L3MBTL1TDP1LMNALPAR1SPHK1
SCHEMBL7897893 0.83 LTB4R2 (0.41) LMNALPAR1LTB4R2
SCHEMBL7900729 0.81 TDP1 (0.48) L3MBTL1TDP1LMNALPAR1LTB4R2
SCHEMBL7899237 0.81 LPAR1 (0.42) LPAR1LTA4HEPHX2LTB4R2

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