SCHEMBL23863695

SCHEMBL23863695

C=CC(=O)Nc1nn(C2CCOCC2)c2nc(-c3ccc(N4CCN(I)CC4)nc3)cc(C(=O)NCc3c(CCC)cc(C)[nH]c3=O)c12

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 16/20 0.53
▸ EZH1 Q92800 6/20 0.50
▸ EED O75530 2/20 0.47
▸ RBBP4 Q09028 2/20 0.47
▸ SUZ12 Q15022 2/20 0.47
▸ AEBP2 Q6ZN18 2/20 0.47
▸ PRMT3 O60678 1/20 0.45
▸ RBBP7 Q16576 1/20 0.45
▸ SETD7 Q8WTS6 1/20 0.45

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
SCHEMBL17734372 0.95 EZH2 (0.59) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL23863648 0.90 EZH2 (0.44) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL23863694 0.83 EZH2 (0.57) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL19503402 0.78 EZH2 (0.78) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL17734365 0.78 EZH2 (0.63) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL23863678 0.77 EZH1 (0.64) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL14816665 0.76 EZH2 (0.58) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL23863710 0.75 EZH2 (0.47) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL19503270 0.74 EZH2 (0.61) EZH2EZH1EEDRBBP4SUZ12
SCHEMBL14816657 0.73 EZH2 (0.60) 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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