SCHEMBL8424704

SCHEMBL8424704

COc1ccc2cc([C@@H]3CCN(Cc4cccc(C#N)c4)C3=O)c(S([NH])(=O)=O)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.46
F2 P00734 11/20 0.46
PLG P00747 1/20 0.46
PROC P04070 1/20 0.46
PRSS1 P07477 1/20 0.46
KDM2B Q8NHM5 1/20 0.45

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
SCHEMBL8425582 0.89 F10 (0.45) F10F2PLGPROCPRSS1
SCHEMBL8427973 0.88 KDM2B (0.44) F10F2PLGPROCPRSS1
SCHEMBL8424801 0.88 KDM2B (0.44) F10F2PLGPROCPRSS1
SCHEMBL8425579 0.87 F10 (0.48) F10F2PLGPROCPRSS1
SCHEMBL8425520 0.86 F10 (0.47) F10F2PLGPROCPRSS1
SCHEMBL8427975 0.86 F10 (0.47) F10F2PLGPROCPRSS1
SCHEMBL8424800 0.86 F10 (0.47) F10F2PLGPROCPRSS1
SCHEMBL2326662 0.77 F10 (0.72) F10F2PLGPROCPRSS1
SCHEMBL2331939 0.77 F10 (0.72) F10F2PLGPROCPRSS1
SCHEMBL2329385 0.77 F10 (0.71) F10F2PLGPROCPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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