SCHEMBL8423970

SCHEMBL8423970

CN[C@H]1CCN(Cc2csc(C#N)c2)C1=O.O=C(Nc1ccc2ccc(S(=O)(=O)O)cc2c1)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.43
F2 P00734 7/20 0.43
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
TGM2 P21980 5/20 0.39
TGM6 O95932 1/20 0.39
F13A1 P00488 1/20 0.39
TGM1 P22735 1/20 0.39
PLG P00747 2/20 0.39
PROC P04070 2/20 0.39
PRSS1 P07477 1/20 0.39
ROCK2 O75116 1/20 0.38

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
SCHEMBL8425646 0.92 F10 (0.41) F10F2MMP2MMP9TGM2
SCHEMBL2329425 0.86 F10 (0.52) F10F2MMP2MMP9PLG
SCHEMBL2325807 0.84 F10 (0.50) F10F2MMP2MMP9TGM2
SCHEMBL2325817 0.84 F10 (0.50) F10F2MMP2MMP9TGM2
SCHEMBL8428362 0.84 MMP2 (0.39) F10F2MMP2MMP9TGM2
SCHEMBL8424709 0.84 F10 (0.42) F10F2MMP2MMP9TGM2
SCHEMBL2333896 0.82 F10 (0.52) F10F2MMP2MMP9TGM2
SCHEMBL8423761 0.82 F10 (0.38) F10F2MMP2MMP9TGM2
SCHEMBL8425627 0.82 F10 (0.61) F10F2PLGPROCPRSS1
SCHEMBL2327401 0.81 F10 (0.45) F10F2MMP2MMP9PLG

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