SCHEMBL16596432

SCHEMBL16596432

N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2c(F)c(Cl)ccc12)c1ccc(C(=O)OI)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.56
▸ APP P05067 3/20 0.42
▸ SNCA P37840 2/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MAPT P10636 3/20 0.38
▸ HPGD P15428 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ PTPN7 P35236 2/20 0.35
▸ PTPN12 Q05209 2/20 0.35
▸ PTPN22 Q9Y2R2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL16596379 0.89 ENPP2 (0.54) ENPP2APPSNCAKMT2AMAPT
SCHEMBL17958322 0.89 ENPP2 (0.69) ENPP2APPSNCAKMT2AMAPT
SCHEMBL16596276 0.89 ENPP2 (0.69) ENPP2APPSNCAKMT2AMAPT
SCHEMBL16596272 0.87 ENPP2 (0.56) ENPP2APPSNCAKMT2AMAPT
SCHEMBL17971234 0.86 ENPP2 (0.55) ENPP2APPSNCAKMT2AMAPT
SCHEMBL16591993 0.83 ENPP2 (0.80) ENPP2APPSNCAKMT2AMAPT
SCHEMBL16595587 0.82 ENPP2 (0.40) ENPP2APP
SCHEMBL16596433 0.79 ENPP2 (0.51) ENPP2APPSNCAKMT2AMAPT
SCHEMBL16596431 0.79 ENPP2 (0.50) ENPP2APPSNCAKMT2AMAPT
SCHEMBL16596265 0.78 ENPP2 (0.49) ENPP2APPSNCAKMT2AMAPT

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-2015042053-A1 VINYL AUTOTAXIN INHIBITOR COMPOUNDS PHARMAKEA, INC. (US) 2015-03-26 — — WO disclosed
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