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SCHEMBL19620893

SCHEMBL19620893

COc1ccc(-c2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c3c(C)cn(C(C)C)c3c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 18/20 0.73
▸ EZH1 Q92800 3/20 0.66
▸ EED O75530 5/20 0.58
▸ SUZ12 Q15022 5/20 0.58
▸ HDAC1 Q13547 1/20 0.53
▸ BRD4 O60885 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ RBBP4 Q09028 1/20 0.49
▸ AEBP2 Q6ZN18 1/20 0.49

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
SCHEMBL14717877 0.93 EZH2 (0.64) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL19620822 0.91 EZH2 (0.66) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL12180088 0.91 EZH2 (0.72) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL2594806 0.90 EZH2 (0.75) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL12180429 0.89 EZH2 (0.62) EZH2EZH1EEDSUZ12RBBP4
SCHEMBL12180214 0.89 EZH2 (0.74) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL19620967 0.89 EZH2 (0.67) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL2593537 0.88 EZH2 (0.67) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL14933275 0.88 EZH2 (0.73) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL2594702 0.88 EZH2 (0.73) 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 1 patent. 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