SCHEMBL20258258

SCHEMBL20258258

O=C(OC(=O)c1cccc(Sc2c(C3CC3)n(-c3cccnc3)c3c(F)c(Cl)ccc23)c1F)c1cccc(Sc2c(Br)n(-c3cccnc3)c3c(F)c(Cl)ccc23)c1F

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.57

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
SCHEMBL20258257 0.92 ENPP2 (0.66) ENPP2
SCHEMBL16739492 0.88 ENPP2 (0.72) ENPP2
SCHEMBL29657089 0.88 ENPP2 (0.72) ENPP2
SCHEMBL16751070 0.87 ENPP2 (0.63) ENPP2
SCHEMBL17508035 0.87 ENPP2 (0.71) ENPP2
SCHEMBL17508033 0.87 ENPP2 (0.71) ENPP2
SCHEMBL17508034 0.86 ENPP2 (0.61) ENPP2
SCHEMBL29657161 0.86 ENPP2 (0.61) ENPP2
SCHEMBL16739441 0.84 ENPP2 (0.56) ENPP2
SCHEMBL29869377 0.84 ENPP2 (0.56) 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
US-9999615-B2 Autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2018-06-19 US claimed