SCHEMBL23863703

SCHEMBL23863703

Cc1nc(C)c(CNC(=O)c2cc(-c3ccc(N4CCN(I)CC4)nc3)cc3c2ccn3C2CCOCC2)c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 15/20 0.52
▸ EZH1 Q92800 7/20 0.52
▸ EED O75530 1/20 0.48
▸ RBBP4 Q09028 1/20 0.48
▸ SUZ12 Q15022 1/20 0.48
▸ RBBP7 Q16576 1/20 0.48
▸ AEBP2 Q6ZN18 1/20 0.48
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL17734418 0.94 EZH2 (0.56) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL23863678 0.88 EZH1 (0.64) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL17734416 0.85 EZH2 (0.44) EZH2EZH1EEDSUZ12
SCHEMBL17734413 0.82 EZH2 (0.71) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL24227152 0.81 EZH2 (0.45) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL20621469 0.81 EZH2 (0.71) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL2595575 0.77 EZH2 (0.74) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL17734419 0.74 EZH2 (0.45) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL23863738 0.74 EZH2 (0.72) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL23863694 0.74 EZH2 (0.57) EZH2EZH1EEDRBBP4SUZ12

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-3885343-A1 INDOLE COMPOUNDS AS EZH2 INHIBITORS AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2021-09-29 — — EP disclosed
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