SCHEMBL17804334

SCHEMBL17804334

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.35
EZH2 Q15910 6/20 0.35
TCF4 P15884 1/20 0.35
CTNNB1 P35222 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
MELK Q14680 2/20 0.34
DAO P14920 1/20 0.34
LTC4S Q16873 1/20 0.33
ACHE P22303 2/20 0.33
CNR1 P21554 1/20 0.33
F2 P00734 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 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 0.85 PSEN1 (0.37) PDK1EZH2PSEN1PSEN2APH1B
SCHEMBL18829965 0.85 PSEN1 (0.37) PDK1EZH2PSEN1PSEN2APH1B
SCHEMBL15710346 0.82 ALDH1A1 (0.38) EZH2PSEN1PSEN2APH1BNCSTN
SCHEMBL17804355 0.81 EZH2 (0.41) EZH2TCF4CTNNB1ALDH1A1HPGD
SCHEMBL18830454 0.80 EZH2 (0.50) EZH2
SCHEMBL13279921 0.75 EZH2 (0.39) EZH2
SCHEMBL18830476 0.73 CRHR1 (0.38) EZH2PSEN1PSEN2APH1BNCSTN
SCHEMBL13279996 0.73 CRHR1 (0.38) EZH2PSEN1PSEN2APH1BNCSTN
SCHEMBL15710286 0.72 EZH2 (0.42) EZH2CNR1
SCHEMBL15710105 0.71 EZH2 (0.72) EZH2

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-3165520-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme Inc (US) 2017-05-10 EP disclosed
EP-2697198-B1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2016-06-08 EP disclosed