SCHEMBL23863673

SCHEMBL23863673

C=CC(=O)n1c(C)cc(=O)c(CNC(=O)c2cc(-c3ccc(N4CCN(I)CC4)nc3)nc3c2cnn3C(C)C)c1CCC

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 14/20 0.61
▸ EZH1 Q92800 9/20 0.49
▸ EED O75530 2/20 0.48
▸ RBBP4 Q09028 2/20 0.48
▸ SUZ12 Q15022 2/20 0.48
▸ RBBP7 Q16576 2/20 0.48
▸ AEBP2 Q6ZN18 2/20 0.48
▸ PRMT3 O60678 1/20 0.48
▸ SETD7 Q8WTS6 1/20 0.48

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
SCHEMBL17734366 0.95 EZH2 (0.69) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL23863676 0.84 EZH1 (0.50) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL23863645 0.83 EZH2 (0.65) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL17734369 0.79 EZH1 (0.55) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL17734375 0.78 EZH2 (0.82) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL17734368 0.77 EZH2 (0.73) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL23863720 0.77 EZH2 (0.88) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL29408698 0.76 EZH2 (1.00) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL17734431 0.76 EZH2 (1.00) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL17734376 0.76 EZH2 (0.80) 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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