SCHEMBL7900723

SCHEMBL7900723

NC(=S)c1cccc(OCCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 9/20 0.54
F2 P00734 2/20 0.54
PLG P00747 1/20 0.54
PRSS2 P07478 1/20 0.54
C1S P09871 1/20 0.54
PRSS3 P35030 1/20 0.54
SIRT2 Q8IXJ6 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
FFAR1 O14842 1/20 0.48
NR4A2 P43354 1/20 0.48
NR1H4 Q96RI1 1/20 0.47
F9 P00740 1/20 0.46

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
SCHEMBL7896958 0.91 PRSS1 (0.55) PRSS1F2PLGPRSS2C1S
SCHEMBL7889327 0.90 PRSS1 (0.56) PRSS1F2PLGPRSS2C1S
SCHEMBL7889295 0.90 PRSS1 (0.56) PRSS1F2PLGPRSS2C1S
SCHEMBL7451728 0.85 SIRT2 (0.60) PRSS1F2PLGPRSS2C1S
SCHEMBL6893845 0.84 NR4A2 (0.67) F2NR4A2
SCHEMBL7897887 0.83 NPC1 (0.62) NPC1RAB9AFFAR1
SCHEMBL30869931 0.81 NR4A2 (0.71) FFAR1NR4A2NR1H4
SCHEMBL1168167 0.81 NR4A2 (0.71) FFAR1NR4A2NR1H4
SCHEMBL17912866 0.80 NPC1 (0.60) SIRT2NPC1RAB9AFFAR1
SCHEMBL7897826 0.80 KMT2A (0.64) PRSS1F2PLGPRSS2C1S

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