SCHEMBL23863645

SCHEMBL23863645

C=CC(=O)Nc1cc(C)cc(CCC)c1CNC(=O)c1cc(-c2ccc(N3CCN(I)CC3)nc2)nc2c1cnn2C(C)C

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 13/20 0.65
▸ EZH1 Q92800 11/20 0.51
▸ PRMT3 O60678 2/20 0.51
▸ EED O75530 2/20 0.51
▸ RBBP4 Q09028 2/20 0.51
▸ SUZ12 Q15022 2/20 0.51
▸ RBBP7 Q16576 2/20 0.51
▸ AEBP2 Q6ZN18 2/20 0.51
▸ SETD7 Q8WTS6 2/20 0.51
▸ ADRA1B P35368 1/20 0.44

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
SCHEMBL17734368 0.94 EZH2 (0.73) EZH2EZH1PRMT3EEDRBBP4
SCHEMBL23863675 0.91 EZH2 (0.53) EZH2EZH1PRMT3EEDRBBP4
SCHEMBL23863692 0.84 EZH2 (0.52) EZH2EZH1PRMT3EEDRBBP4
SCHEMBL23863673 0.83 EZH2 (0.61) EZH2EZH1PRMT3EEDRBBP4
SCHEMBL17734376 0.82 EZH2 (0.80) EZH2EZH1PRMT3EEDRBBP4
SCHEMBL23863720 0.79 EZH2 (0.88) EZH2EZH1PRMT3EEDRBBP4
SCHEMBL17734431 0.79 EZH2 (1.00) EZH2EZH1PRMT3EEDRBBP4
SCHEMBL29408698 0.79 EZH2 (1.00) EZH2EZH1PRMT3EEDRBBP4
SCHEMBL17734355 0.78 EZH2 (0.89) EZH2EZH1PRMT3EEDRBBP4
SCHEMBL17734367 0.78 EZH2 (0.59) EZH2EZH1PRMT3EEDRBBP4

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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