SCHEMBL2329650

SCHEMBL2329650

COc1ccc2ccc(S(=O)(=O)NC[C@@H]3CCN(Cc4cccc(C#N)c4)C3=O)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.55
F2 P00734 7/20 0.55
PLG P00747 1/20 0.55
PROC P04070 1/20 0.55
PRSS1 P07477 1/20 0.55

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
SCHEMBL2330488 0.98 F10 (0.54) F10F2PLGPROCPRSS1
SCHEMBL2326821 0.91 F10 (0.51) F10F2PLGPROCPRSS1
SCHEMBL2331939 0.87 F10 (0.72) F10F2PLGPROCPRSS1
SCHEMBL2326662 0.87 F10 (0.72) F10F2PLGPROCPRSS1
SCHEMBL2333482 0.86 F10 (0.57) F10F2PLGPROCPRSS1
SCHEMBL2330460 0.85 F10 (0.56) F10F2PLGPROCPRSS1
SCHEMBL2329385 0.85 F10 (0.71) F10F2PLGPROCPRSS1
SCHEMBL8428224 0.85 F10 (0.56) F10F2PLGPROCPRSS1
SCHEMBL2329897 0.83 F10 (0.65) F10F2PLGPROCPRSS1
SCHEMBL8424663 0.83 F10 (0.58) 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
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