SCHEMBL18829944

SCHEMBL18829944

COC(=O)c1cc(C)cc(N(C)C2CCCC2)c1C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 7/20 0.41
OPRK1 P41145 2/20 0.39
ABCC1 P33527 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
NPC1 O15118 1/20 0.36
IDO1 P14902 1/20 0.36
MAPT P10636 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35

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
SCHEMBL15731239 0.88 EZH2 (0.44) EZH2OPRK1NPC1
SCHEMBL13280720 0.86 EZH2 (0.40) EZH2OPRK1ALDH1A1NPSR1NPC1
SCHEMBL18829978 0.86 EZH2 (0.40) EZH2OPRK1ABCC1ALDH1A1GAA
SCHEMBL13277322 0.86 EZH2 (0.54) EZH2OPRK1
SCHEMBL13280289 0.85 MEN1 (0.41) EZH2OPRK1ALDH1A1GAANPSR1
SCHEMBL13276867 0.85 EZH2 (0.53) EZH2OPRK1
SCHEMBL30687996 0.85 EZH2 (0.53) EZH2OPRK1
SCHEMBL15710441 0.85 MEN1 (0.40) EZH2OPRK1ALDH1A1NPC1
SCHEMBL15709875 0.84 CFTR (0.40) EZH2OPRK1ALDH1A1
SCHEMBL17804341 0.83 EZH2 (0.38) EZH2OPRK1ALDH1A1GAANPSR1

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
EP-3470396-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2019-04-17 EP disclosed
EP-3165520-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme Inc (US) 2017-05-10 EP disclosed