SCHEMBL19620868

SCHEMBL19620868

CNc1nccc(-c2cc(C(O)NCc3c(C)cc(C)[nH]c3=O)c3c(C)cn(C(C)C)c3c2)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 17/20 0.44
▸ EZH1 Q92800 3/20 0.44
▸ EED O75530 2/20 0.38
▸ SUZ12 Q15022 2/20 0.38
▸ HDAC1 Q13547 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ RBBP4 Q09028 1/20 0.35
▸ RBBP7 Q16576 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ TTK P33981 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ INCENP Q9NQS7 1/20 0.34

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
SCHEMBL12180121 0.85 EZH2 (0.61) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL18864307 0.83 EZH2 (0.46) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL18864309 0.81 EZH2 (0.47) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL18863721 0.80 EZH2 (0.49) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL18864353 0.79 EZH2 (0.51) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL19621002 0.78 EZH2 (0.46) EZH2EZH1EEDSUZ12BRD4
SCHEMBL12180414 0.77 EZH2 (0.60) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL19890902 0.76 EZH2 (0.75) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL12180268 0.76 EZH2 (0.64) EZH2EZH1EEDSUZ12HDAC1
SCHEMBL12180412 0.74 EZH2 (0.62) 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
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