SCHEMBL13009082

SCHEMBL13009082

Bc1ccc2scc(C(C(=O)Nc3ccc4ccccc4c3)P(=O)(O)O)c2c1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 19/20 0.78
CTSG P08311 2/20 0.77
PRSS1 P07477 1/20 0.77
PRSS2 P07478 1/20 0.77
PRSS3 P35030 1/20 0.77
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ACP3 P15309 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
SCHEMBL3654773 0.88 CMA1 (1.00) CMA1CTSGPRSS1PRSS2PRSS3
SCHEMBL404228 0.87 CMA1 (1.00) CMA1CTSGPRSS1PRSS2PRSS3
SCHEMBL998105 0.87 CMA1 (0.78) CMA1CTSGPRSS1PRSS2PRSS3
SCHEMBL31476750 0.87 CMA1 (1.00) CMA1CTSGPRSS1PRSS2PRSS3
SCHEMBL999231 0.87 CMA1 (0.78) CMA1CTSGPRSS1PRSS2PRSS3
SCHEMBL23752344 0.87 CMA1 (1.00) CMA1CTSGPRSS1PRSS2PRSS3
SCHEMBL409547 0.87 CMA1 (0.78) CMA1CTSGPRSS1PRSS2PRSS3
SCHEMBL409986 0.86 CMA1 (0.77) CMA1CTSGPRSS1PRSS2PRSS3
SCHEMBL998748 0.81 CMA1 (0.78) CMA1CTSGPRSS1PRSS2PRSS3
SCHEMBL13490189 0.79 CMA1 (0.65) CMA1CTSGPRSS1PRSS2PRSS3

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-1716160-B1 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-29 EP disclosed