SCHEMBL13009530

SCHEMBL13009530

NC(C(=O)Nc1ccc2ccccc2c1)c1csc2ccc(Cl)cc12

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 14/20 0.76
PRSS1 P07477 1/20 0.76
PRSS2 P07478 1/20 0.76
CTSG P08311 1/20 0.76
PRSS3 P35030 1/20 0.76
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
GRIK1 P39086 1/20 0.45
GRIK2 Q13002 1/20 0.45
PKM P14618 1/20 0.44
CYP2C9 P11712 1/20 0.42

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
SCHEMBL8289101 0.88 CMA1 (0.77) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL407061 0.86 CMA1 (0.71) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL23752344 0.86 CMA1 (1.00) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL404228 0.86 CMA1 (1.00) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL407665 0.86 CMA1 (0.74) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL31476750 0.86 CMA1 (1.00) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL8289102 0.85 CMA1 (0.70) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL408957 0.85 CMA1 (0.73) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL409902 0.84 CMA1 (0.71) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL1001215 0.84 CMA1 (1.00) 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
EP-1716160-B1 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-29 EP disclosed