SCHEMBL17154508

SCHEMBL17154508

C[N+](C)(C)CCOc1cccc2c1C(=O)NC2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TERT O14746 1/20 0.38
▸ CHRM2 P08172 2/20 0.36
▸ CASP3 P42574 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ KCNA5 P22460 1/20 0.36
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNA4 P43681 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
SCHEMBL7648225 0.83 CYP2A6 (0.43) KCNA3GAAKDM4EALDH1A1HPGD
SCHEMBL11064554 0.80 KCNA3 (0.40) KCNA3GAAKDM4EALDH1A1HPGD
SCHEMBL10776993 0.80 CDK2 (0.43) KCNA3GAAKDM4EALDH1A1HPGD
SCHEMBL7399139 0.80 DDB1 (0.46) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL17154500 0.79 HTR7 (0.51) KDM4EALDH1A1
SCHEMBL4593117 0.79 PRKCA (0.45) KCNA3GAAKDM4EALDH1A1HPGD
SCHEMBL9596671 0.79 KCNA3 (0.42) KCNA3GAAKDM4EALDH1A1HPGD
Water SCHEMBL8678456 0.78 DDB1 (0.45) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2701829 0.76 GSK3B (0.42) KCNA3GAAKDM4EALDH1A1HPGD
SCHEMBL10895518 0.75 GAA (0.39) KCNA3GAAKDM4EALDH1A1HPGD

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-2015153410-A1 HISTONE ACETYLTRANSFERASE ACTIVATORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-10-08 — — WO disclosed
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