SCHEMBL16596272

SCHEMBL16596272

COc1ccc(Cn2cc(/C=C(\C#N)c3ccc(C(=O)OI)cc3)c3ccc(Cl)c(F)c32)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.56
▸ APP P05067 3/20 0.36
▸ KMT2A Q03164 4/20 0.34
▸ POLB P06746 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ SNCA P37840 2/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ PTPN7 P35236 1/20 0.32
▸ PTPN12 Q05209 1/20 0.32
▸ PTPN22 Q9Y2R2 1/20 0.32
▸ SMN1; SMN2 Q16637 5/20 0.32
▸ MAPT P10636 3/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ RET P07949 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL16596288 0.92 ENPP2 (0.67) ENPP2APPKMT2APOLBALDH1A1
SCHEMBL17958312 0.92 ENPP2 (0.67) ENPP2APPKMT2APOLBALDH1A1
SCHEMBL16596432 0.87 ENPP2 (0.56) ENPP2APPKMT2APOLBALDH1A1
SCHEMBL17971257 0.81 ENPP2 (0.57) ENPP2APPKMT2APOLBALDH1A1
SCHEMBL17971233 0.80 ENPP2 (0.47) ENPP2APPALDH1A1L3MBTL1SNCA
SCHEMBL16595587 0.80 ENPP2 (0.40) ENPP2APP
SCHEMBL16596253 0.78 ENPP2 (0.53) ENPP2APPKMT2APOLBALDH1A1
SCHEMBL16596379 0.77 ENPP2 (0.54) ENPP2APPKMT2APOLBALDH1A1
SCHEMBL16596276 0.77 ENPP2 (0.69) ENPP2APPKMT2APOLBALDH1A1
SCHEMBL17958322 0.77 ENPP2 (0.69) ENPP2APPKMT2APOLBALDH1A1

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
WO-2015042053-A1 VINYL AUTOTAXIN INHIBITOR COMPOUNDS PHARMAKEA, INC. (US) 2015-03-26 — — WO disclosed
US-8952016-B2 Substituted xanthine derivatives CONCERT PHARMACEUTICALS, INC. (US) 2015-02-10 — — US disclosed
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