SCHEMBL16614261

SCHEMBL16614261

Cc1[nH]c2c(F)c(Cl)ccc2c1Sc1cccc(C(=O)O)c1F

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 9/20 0.49
GPR17 Q13304 1/20 0.40
NOTUM Q6P988 1/20 0.39
ADRA2A P08913 1/20 0.36
CLCN2 P51788 1/20 0.36
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
TTR P02766 1/20 0.34

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
SCHEMBL16600623 0.88 ENPP2 (0.42) ENPP2
SCHEMBL671945 0.86 ENPP2 (0.42) ENPP2
SCHEMBL16600621 0.83 CLCN2 (0.44) ENPP2GPR17NOTUMADRA2ACLCN2
SCHEMBL16601100 0.83 ENPP2 (0.53) ENPP2GPR17NOTUM
SCHEMBL16600515 0.79 ENPP2 (0.64) ENPP2
SCHEMBL671979 0.78 ENPP2 (0.36) ENPP2GPR17
SCHEMBL16600182 0.78 ENPP2 (0.42) ENPP2
SCHEMBL16600363 0.75 L3MBTL1 (0.46) ENPP2GPR17
SCHEMBL16600573 0.73 ENPP2 (0.39) ENPP2
SCHEMBL14668202 0.73 ENPP2 (0.53) ENPP2GPR17

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-2015048301-A1 AUTOTAXIN INHIBITOR COMPOUNDS PHARMAKEA, INC. (US) 2015-04-02 WO disclosed