SCHEMBL16596372

SCHEMBL16596372

N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2cccc(Cl)c12)c1ccc(C=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.49
▸ APP P05067 2/20 0.48
▸ SNCA P37840 2/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ HTT P42858 4/20 0.45
▸ MAPT P10636 5/20 0.43
▸ KMT2A Q03164 6/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ MEN1 O00255 5/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ APEX1 P27695 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CASP3 P42574 1/20 0.38

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
SCHEMBL17958323 0.90 ENPP2 (0.61) ENPP2APPSNCASMN1; SMN2ALDH1A1
SCHEMBL16596315 0.90 ENPP2 (0.61) ENPP2APPSNCASMN1; SMN2ALDH1A1
SCHEMBL17971208 0.89 APP (0.50) ENPP2APPSNCASMN1; SMN2ALDH1A1
SCHEMBL16596367 0.85 APP (0.68) ENPP2APPSNCASMN1; SMN2ALDH1A1
SCHEMBL16596373 0.82 ENPP2 (0.56) ENPP2APPSNCASMN1; SMN2ALDH1A1
SCHEMBL16596380 0.77 ENPP2 (0.51) ENPP2APPSNCASMN1; SMN2ALDH1A1
SCHEMBL16596381 0.76 ENPP2 (0.51) ENPP2APPSNCASMN1; SMN2ALDH1A1
SCHEMBL16596428 0.76 ENPP2 (0.50) ENPP2APPSNCASMN1; SMN2ALDH1A1
SCHEMBL16596271 0.75 ENPP2 (0.49) ENPP2APPSNCASMN1; SMN2ALDH1A1
SCHEMBL16596318 0.75 APP (0.72) ENPP2APPSNCASMN1; SMN2ALDH1A1

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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