SCHEMBL18829965

SCHEMBL18829965

CC(=O)c1cc(Cl)cc(N(C)CC2CCCC2)c1C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
DAO P14920 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PDK1 Q15118 1/20 0.35
EZH2 Q15910 6/20 0.35
CNR1 P21554 1/20 0.35
TRPV1 Q8NER1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MELK Q14680 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL13281801 0.90 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15710346 0.86 ALDH1A1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17804334 0.85 PDK1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18830476 0.85 CRHR1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13279921 0.79 EZH2 (0.39) NPC1RAB9AEZH2
SCHEMBL18829845 0.78 ALDH1A1 (0.41) NPC1RAB9AEZH2ALDH1A1
SCHEMBL13468049 0.78 EZH2 (0.39) NPC1RAB9AEZH2ALDH1A1
SCHEMBL15710286 0.76 EZH2 (0.42) EZH2CNR1
SCHEMBL18829951 0.75 EZH2 (0.52) EZH2
SCHEMBL18829926 0.75 EZH2 (0.36) EZH2ALDH1A1

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