SCHEMBL8290983

SCHEMBL8290983

Cc1ccc2scc(C(C(=O)N/C=C/c3ccccc3N)P(C)(=O)O)c2c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 18/20 0.61
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
CTSG P08311 1/20 0.37
PRSS3 P35030 1/20 0.37
CA2 P00918 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL407843 0.90 CMA1 (0.76) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL1001741 0.90 CMA1 (0.76) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL4126935 0.81 CMA1 (0.78) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL4126941 0.81 CMA1 (0.78) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL8365419 0.80 CMA1 (0.88) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL7749379 0.80 CMA1 (0.69) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL3653785 0.80 CMA1 (0.79) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL3653790 0.80 CMA1 (0.79) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL999748 0.79 CMA1 (0.78) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL407327 0.79 CMA1 (0.78) CMA1PRSS1PRSS2CTSGPRSS3

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-2005073214-A2 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-11 WO disclosed