SCHEMBL19156069

SCHEMBL19156069

Cc1ccc(/C(C#N)=C/c2cn(CCCc3ccccc3)c3cc(C)ccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ APP P05067 2/20 0.53
▸ PTGDR2 Q9Y5Y4 5/20 0.46
▸ PDE4A P27815 3/20 0.41
▸ PDE4B Q07343 3/20 0.41
▸ PDE4C Q08493 3/20 0.41
▸ PDE4D Q08499 3/20 0.41
▸ SNCA P37840 2/20 0.41
▸ KCNH2 Q12809 1/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ENPP2 Q13822 1/20 0.37
▸ THRB P10828 1/20 0.37

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
SCHEMBL19156093 0.95 MAPT (0.55) MAPTLMNASMN1; SMN2APPPTGDR2
SCHEMBL17971219 0.92 MAPT (0.53) MAPTLMNASMN1; SMN2APPPTGDR2
SCHEMBL17971223 0.86 MAPT (0.50) MAPTLMNASMN1; SMN2APPPTGDR2
SCHEMBL19156166 0.84 MAPT (0.52) MAPTLMNASMN1; SMN2APPPTGDR2
SCHEMBL16596241 0.83 APP (0.53) MAPTLMNASMN1; SMN2APPPTGDR2
SCHEMBL17958327 0.83 APP (0.53) MAPTLMNASMN1; SMN2APPPTGDR2
SCHEMBL16596307 0.81 APP (0.51) MAPTLMNASMN1; SMN2APPPTGDR2
SCHEMBL17971216 0.81 APP (0.66) MAPTLMNASMN1; SMN2APPPTGDR2
SCHEMBL16596257 0.78 ENPP2 (0.51) MAPTLMNASMN1; SMN2APPPTGDR2
SCHEMBL17971212 0.78 APP (0.55) MAPTLMNASMN1; SMN2APPPTGDR2

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-9714240-B2 Vinyl autotaxin inhibitor compounds PHARMAKEA, INC. (US) 2017-07-25 — — US disclosed
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