SCHEMBL16614209

SCHEMBL16614209

Cc1c(Sc2cccc(C=O)c2)c2ccc(Cl)c(F)c2n1CC(=O)N1CC(n2cccn2)C1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 19/20 0.53
AKR1B1 P15121 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL16600438 0.89 ENPP2 (0.67) ENPP2
SCHEMBL16614227 0.86 ENPP2 (0.61) ENPP2AKR1B1PTGDR2
SCHEMBL16614252 0.82 ENPP2 (0.56) ENPP2AKR1B1PTGDR2
SCHEMBL16600529 0.74 ENPP2 (0.78) ENPP2
SCHEMBL16600403 0.73 ENPP2 (0.69) ENPP2AKR1B1PTGDR2
SCHEMBL16600401 0.73 ENPP2 (0.69) ENPP2AKR1B1PTGDR2
SCHEMBL16600404 0.73 ENPP2 (0.81) ENPP2
SCHEMBL16600195 0.73 ENPP2 (0.75) ENPP2
SCHEMBL17940583 0.72 ENPP2 (0.70) ENPP2AKR1B1PTGDR2
SCHEMBL16600455 0.72 ENPP2 (0.67) ENPP2

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