SCHEMBL28995994

SCHEMBL28995994

CSc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccc(N3CCN(CCNC(=O)CC45CC6CC(CC(C6)C4)C5)CC3)nc2)cc2c1cnn2C(C)C

nearest known ligand 0.87

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 6/20 0.87
▸ HDAC6 Q9UBN7 8/20 0.64
▸ EZH1 Q92800 9/20 0.63
▸ EED O75530 2/20 0.63
▸ RBBP4 Q09028 2/20 0.63
▸ SUZ12 Q15022 2/20 0.63
▸ RBBP7 Q16576 2/20 0.63
▸ AEBP2 Q6ZN18 2/20 0.63
▸ HDAC1 Q13547 5/20 0.63
▸ PRMT3 O60678 1/20 0.61
▸ SETD7 Q8WTS6 1/20 0.61

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
SCHEMBL21271666 0.93 EZH2 (1.00) EZH2HDAC6EZH1EEDRBBP4
SCHEMBL31061547 0.93 EZH2 (1.00) EZH2HDAC6EZH1EEDRBBP4
SCHEMBL29649766 0.93 EZH2 (1.00) EZH2HDAC6EZH1EEDRBBP4
SCHEMBL28995982 0.93 EZH2 (0.76) EZH2HDAC6EZH1EEDRBBP4
SCHEMBL30122737 0.91 EZH2 (0.87) EZH2HDAC6EZH1EEDRBBP4
SCHEMBL21271679 0.91 EZH2 (0.87) EZH2HDAC6EZH1EEDRBBP4
SCHEMBL28996183 0.90 EZH2 (0.71) EZH2HDAC6EZH1EEDRBBP4
SCHEMBL21271681 0.90 EZH2 (0.93) EZH2HDAC6EZH1EEDRBBP4
SCHEMBL30122881 0.90 EZH2 (0.93) EZH2HDAC6EZH1EEDRBBP4
SCHEMBL28995932 0.89 EZH2 (0.69) EZH2HDAC6EZH1EEDRBBP4

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
CN-116082320-A ZESTE enhancer homolog 2 inhibitors and uses thereof 海思科医药集团股份有限公司 2023-05-09 — — CN disclosed
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