SCHEMBL7422667

SCHEMBL7422667

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

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.60
F2 P00734 11/20 0.60
KLK6 Q92876 3/20 0.49
PLG P00747 2/20 0.46
PROC P04070 2/20 0.46
PLAT P00750 1/20 0.46
PRSS1 P07477 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
Trifluoroacetic Acid SCHEMBL2361367 0.96 F10 (0.58) F10F2KLK6PLGPROC
SCHEMBL7419114 0.94 F10 (0.59) F10F2KLK6PLGPROC
Trifluoroacetic Acid SCHEMBL2333299 0.92 F10 (0.60) F10F2KLK6PLGPROC
Trifluoroacetic Acid SCHEMBL2360589 0.90 F10 (0.57) F10F2KLK6PLGPROC
SCHEMBL7426529 0.88 F10 (0.61) F10F2KLK6PLGPROC
SCHEMBL7422663 0.88 F10 (0.79) F10F2KLK6PLGPROC
Trifluoroacetic Acid SCHEMBL2360859 0.88 F10 (0.61) F10F2KLK6PLGPROC
SCHEMBL2326846 0.87 F10 (0.60) F10F2KLK6PLGPROC
Trifluoroacetic Acid SCHEMBL7420495 0.86 F10 (0.59) F10F2KLK6PLGPROC
SCHEMBL27493516 0.86 F10 (0.57) F10F2KLK6PLGPROC

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