SCHEMBL6960795

SCHEMBL6960795

N=C(NN)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 0.53
PLG P00747 1/20 0.53
PRSS2 P07478 1/20 0.53
C1S P09871 1/20 0.53
PRSS3 P35030 1/20 0.53
NR1H4 Q96RI1 1/20 0.47
F10 P00742 1/20 0.45
NR4A2 P43354 1/20 0.45
PLA2G4B P0C869 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44

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
SCHEMBL7900578 1.00 PRSS1 (0.56) PRSS1F2PLGPRSS2C1S
SCHEMBL6952958 0.99 PRSS1 (0.55) PRSS1F2PLGPRSS2C1S
SCHEMBL6961791 0.91 PRSS1 (0.54) PRSS1F2PLGPRSS2C1S
SCHEMBL6953213 0.85 PLA2G4B (0.56) PRSS1F2PLGNR1H4F10
SCHEMBL6950680 0.85 PLA2G4B (0.56) PRSS1F2PLGNR1H4F10
SCHEMBL6955519 0.85 F10 (0.45) PRSS1PRSS2PRSS3F10
SCHEMBL6962917 0.85 F10 (0.45) PRSS1PRSS2PRSS3F10
SCHEMBL6961292 0.84 PLA2G4B (0.54) PRSS1F2NR1H4PLA2G4B
SCHEMBL6960501 0.83 PRSS1 (0.46) PRSS1PRSS2PRSS3F10
SCHEMBL6956448 0.83 SMPD1 (0.61) PRSS1NR1H4PLA2G4B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711762-B1 PROCESS FOR PRODUCING TETRAZOLE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-08-06 EP disclosed
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