SCHEMBL7889295

SCHEMBL7889295

NC(=S)c1cccc(OCCCCCCCCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 9/20 0.56
F2 P00734 1/20 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
NR4A2 P43354 1/20 0.48
NR1H4 Q96RI1 1/20 0.47
PLA2G4B P0C869 1/20 0.47
NAAA Q02083 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
LPAR1 Q92633 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
SCHEMBL7889327 1.00 PRSS1 (0.56) PRSS1F2PLGPRSS2C1S
SCHEMBL7896958 0.99 PRSS1 (0.55) PRSS1F2PLGPRSS2C1S
SCHEMBL7900723 0.90 PRSS1 (0.54) PRSS1F2PLGPRSS2C1S
SCHEMBL202127 0.86 FAAH (0.58) PRSS1F2PLGPRSS2C1S
SCHEMBL204302 0.86 FAAH (0.58) PRSS1F2PLGPRSS2C1S
SCHEMBL204344 0.84 NR4A2 (0.56) PRSS1F2PLGPRSS2C1S
SCHEMBL7896350 0.84 PLA2G4B (0.60) F2PLGNR1H4PLA2G4B
SCHEMBL7897896 0.84 PLA2G4B (0.60) F2PLGNR1H4PLA2G4B
SCHEMBL7889322 0.84 IGF1R (0.47) PRSS1PRSS2PRSS3
SCHEMBL7900726 0.84 IGF1R (0.47) PRSS1PRSS2PRSS3

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