SCHEMBL2328971

SCHEMBL2328971

N#Cc1cccc(CN2CC[C@H](NS(=O)(=O)c3cccc4ccccc34)C2=O)c1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.70
PLG P00747 1/20 0.52
PROC P04070 1/20 0.52
F2 P00734 6/20 0.47
PRSS1 P07477 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
SCHEMBL2331531 0.89 F10 (0.57) F10PLGPROCF2PRSS1
SCHEMBL2332215 0.86 F10 (0.52) F10PLGPROCF2
SCHEMBL2330450 0.85 F10 (0.69) F10PLGPROCF2PRSS1
SCHEMBL2335132 0.83 F10 (0.53) F10PLGPROCF2
SCHEMBL2325190 0.82 F10 (0.68) F10PLGPROCF2
SCHEMBL2329162 0.81 F10 (0.57) F10PLGPROCF2
SCHEMBL2325323 0.81 F10 (0.50) F10PLGPROCF2
SCHEMBL2328805 0.80 F10 (0.47) F10PLGPROCF2PRSS1
SCHEMBL2328169 0.80 F10 (0.70) F10PLGPROCF2PRSS1
SCHEMBL2328900 0.80 F10 (0.70) F10PLGPROCF2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0853618-B1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL -AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA INC (US) 2011-08-17 EP disclosed
US-5958918-A Substituted (sulfinic acid, sulfonic acid, sulfonylamino or sulfinylamino) N- (aminominomethyl)phenylalkyl!-azaheterocyclylamide compounds RHONE-POULENC RORER PHARMACEUTICALS INC. 1999-09-28 US disclosed