SCHEMBL3652566

SCHEMBL3652566

O=C(CC(c1csc2ccc(Cl)cc12)P(=O)(O)O)Nc1ccc2ccccc2c1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 15/20 0.72
PRSS1 P07477 1/20 0.72
PRSS2 P07478 1/20 0.72
CTSG P08311 1/20 0.72
PRSS3 P35030 1/20 0.72
RAB9A P51151 3/20 0.46
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL23752344 0.84 CMA1 (1.00) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL404228 0.84 CMA1 (1.00) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL31476750 0.84 CMA1 (1.00) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL408281 0.81 CMA1 (0.79) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL999324 0.80 CMA1 (1.00) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL1001215 0.80 CMA1 (1.00) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL8289101 0.79 CMA1 (0.77) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL406708 0.79 CMA1 (1.00) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL408957 0.79 CMA1 (0.73) CMA1PRSS1PRSS2CTSGPRSS3
SCHEMBL13009530 0.79 CMA1 (0.76) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2211867-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS Janssen Pharmaceutica N.V. (BE) 2010-08-04 EP disclosed
WO-2009051746-A1 PROCESS FOR SYNTHESIZING PHOSPHONIC AND PHOSPHINIC ACID COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO disclosed