SCHEMBL16596306

SCHEMBL16596306

COc1ccc2c(/C=C(\C#N)c3ccc(C=O)cc3)cn(Cc3ccc(OC)nc3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.58
▸ APP P05067 3/20 0.43
▸ MAPT P10636 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HDAC1 Q13547 3/20 0.39
▸ HDAC2 Q92769 3/20 0.39
▸ HDAC6 Q9UBN7 3/20 0.39
▸ NQO2 P16083 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SNCA P37840 2/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36

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
SCHEMBL16596255 0.92 ENPP2 (0.54) ENPP2APPMAPTSMN1; SMN2TP53
SCHEMBL16596308 0.91 ENPP2 (0.57) ENPP2APPMAPTSMN1; SMN2TP53
SCHEMBL17958358 0.91 ENPP2 (0.70) ENPP2APPMAPTSMN1; SMN2TP53
SCHEMBL16596286 0.91 ENPP2 (0.70) ENPP2APPMAPTSMN1; SMN2TP53
SCHEMBL17971236 0.91 ENPP2 (0.58) ENPP2APPMAPTSMN1; SMN2TP53
SCHEMBL16596381 0.86 ENPP2 (0.51) ENPP2APPMAPTSMN1; SMN2TP53
SCHEMBL19156159 0.85 ENPP2 (0.61) ENPP2APPMAPTSMN1; SMN2TP53
SCHEMBL17975419 0.83 ENPP2 (0.65) ENPP2APPPOLBSNCAALDH1A1
SCHEMBL17958334 0.82 ENPP2 (0.69) ENPP2APPMAPTSMN1; SMN2TP53
SCHEMBL16596242 0.82 ENPP2 (0.69) ENPP2APPMAPTSMN1; SMN2TP53

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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