SCHEMBL12180152

SCHEMBL12180152

Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN5CCOCC5C4)nc3)cc3c2c(C)cn3C(C)C)c(=O)[nH]1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 18/20 0.74
▸ EZH1 Q92800 6/20 0.74
▸ EED O75530 6/20 0.65
▸ SUZ12 Q15022 6/20 0.65
▸ HDAC1 Q13547 2/20 0.62
▸ HDAC6 Q9UBN7 2/20 0.59
▸ RBBP4 Q09028 2/20 0.56
▸ AEBP2 Q6ZN18 2/20 0.56
▸ RBBP7 Q16576 1/20 0.56
▸ HDAC4 P56524 1/20 0.52
▸ HDAC7 Q8WUI4 1/20 0.52
▸ HDAC2 Q92769 1/20 0.52
▸ HDAC10 Q969S8 1/20 0.52
▸ HDAC11 Q96DB2 1/20 0.52
▸ HDAC8 Q9BY41 1/20 0.52
▸ HDAC9 Q9UKV0 1/20 0.52
▸ HDAC5 Q9UQL6 1/20 0.52

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
SCHEMBL2592692 1.00 EZH2 (0.74) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL2592260 0.90 EZH2 (0.84) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL12180083 0.89 EZH2 (0.85) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL2587354 0.87 EZH2 (0.77) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL2594913 0.86 EZH2 (0.83) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL12180097 0.86 EZH2 (0.89) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL29351554 0.86 EZH2 (1.00) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL2595868 0.86 EZH2 (1.00) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL2596023 0.85 EZH2 (0.89) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL2594079 0.85 EZH2 (0.83) EZH2EZH1EEDSUZ12HDAC1

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-3246027-A1 INDOLE DERIVATIVES FOR THE TREATMENT OF CANCER GlaxoSmithKline LLC (US) 2017-11-22 — — EP disclosed
WO-2011140324-A1 INDOLES GLAXOSMITHKLINE LLC (US) 2011-11-10 — — WO disclosed
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