SCHEMBL12825224

SCHEMBL12825224

CNC(=N)c1ccc(CNC(=O)CNC(=O)[C@@H](CCc2ccccc2)NS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 12/20 0.49
▸ F2 P00734 9/20 0.49
▸ PRSS1 P07477 1/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ PRSS3 P35030 1/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PLG P00747 2/20 0.41
▸ KLKB1 P03952 1/20 0.41
▸ PROC P04070 1/20 0.41
▸ MMP3 P08254 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL8289817 0.90 F10 (0.52) F10F2PRSS1PRSS2PRSS3
SCHEMBL8289988 0.84 F10 (0.45) F10F2PRSS1PRSS2PRSS3
SCHEMBL8289989 0.82 F10 (0.49) F10F2PRSS1PRSS2PRSS3
SCHEMBL8291002 0.82 F10 (0.56) F10F2PLGKLKB1PROC
SCHEMBL8291001 0.82 F10 (0.56) F10F2PLGKLKB1PROC
SCHEMBL8290739 0.80 F2 (0.49) F10F2PRSS1PRSS2PRSS3
SCHEMBL8290737 0.79 F10 (0.53) F10F2PRSS1PRSS2PRSS3
SCHEMBL8289990 0.79 F10 (0.53) F10F2PRSS1PRSS2PRSS3
SCHEMBL8289986 0.79 F10 (0.55) F10F2PRSS1PRSS2PRSS3
SCHEMBL8290838 0.78 F10 (0.53) F10F2PRSS1PRSS2PRSS3

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-2292640-A2 Base-substituted benzylamine analogs for use as coagulation factor Xa inhibitors, the production and use thereof The Medicines Company (Leipzig) GmbH (DE) 2011-03-09 — — EP disclosed
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