SCHEMBL8428362

SCHEMBL8428362

N#Cc1cc(CN2CC[C@@H](C(NS(=O)(=O)c3ccc4ccc(NC(=O)OCc5ccccc5)cc4c3)C(=O)O)C2=O)cs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.39
MMP9 P14780 3/20 0.39
F10 P00742 6/20 0.38
F2 P00734 2/20 0.38
TGM2 P21980 6/20 0.38
TGM6 O95932 1/20 0.38
F13A1 P00488 1/20 0.38
TGM1 P22735 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
HPN P05981 1/20 0.36
ST14 Q9Y5Y6 1/20 0.36
PLG P00747 1/20 0.36
PROC P04070 1/20 0.36
KCNA5 P22460 1/20 0.36
MMP8 P22894 1/20 0.35

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
SCHEMBL8423761 0.92 F10 (0.38) MMP2MMP9F10F2TGM2
SCHEMBL8425687 0.88 MGAT2 (0.35) MMP2MMP9F10F2TGM2
SCHEMBL8423970 0.84 F10 (0.43) MMP2MMP9F10F2TGM2
SCHEMBL8425839 0.84 F10 (0.55) F10F2PLGPROC
SCHEMBL8425646 0.84 F10 (0.41) MMP2MMP9F10F2TGM2
SCHEMBL2329425 0.83 F10 (0.52) MMP2MMP9F10F2PLG
SCHEMBL2325807 0.82 F10 (0.50) MMP2MMP9F10F2TGM2
SCHEMBL2325817 0.82 F10 (0.50) MMP2MMP9F10F2TGM2
SCHEMBL8428420 0.81 F10 (0.33) MMP2MMP9F10F2HPN
SCHEMBL2333896 0.81 F10 (0.52) MMP2MMP9F10F2TGM2

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