SCHEMBL7422663

SCHEMBL7422663

COc1ccc2ccc(S(=O)(=O)N(CC(=O)NCc3ccc(C)cc3)[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2c1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.79
F2 P00734 13/20 0.79
PLG P00747 1/20 0.61
PROC P04070 1/20 0.61
PRSS1 P07477 1/20 0.61
KLK6 Q92876 2/20 0.56

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
Trifluoroacetic Acid SCHEMBL2326242 0.96 F10 (0.75) F10F2PLGPROCPRSS1
SCHEMBL7415489 0.94 F10 (0.77) F10F2PLGPROCPRSS1
Trifluoroacetic Acid SCHEMBL2333295 0.92 F10 (0.78) F10F2PLGPROCPRSS1
Trifluoroacetic Acid SCHEMBL2329182 0.90 F10 (0.73) F10F2PLGPROCPRSS1
SCHEMBL7421936 0.88 F10 (0.80) F10F2PLGPROCPRSS1
SCHEMBL7422667 0.88 F10 (0.60) F10F2PLGPROCPRSS1
SCHEMBL2326846 0.88 F10 (0.60) F10F2PLGPROCPRSS1
Trifluoroacetic Acid SCHEMBL2360858 0.87 F10 (0.79) F10F2PLGPROCPRSS1
Trifluoroacetic Acid SCHEMBL7420490 0.86 F10 (0.77) F10F2PLGPROCPRSS1
SCHEMBL27493515 0.86 F10 (0.74) 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
WO-1996040679-A1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLYLAMIDE COMPOUNDS RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-12-19 WO disclosed