SCHEMBL20612508

SCHEMBL20612508

CCCc1cc(C)[nH]c(=O)c1CNC(O)c1cc(-c2ccc(N3CCN(C)CC3)nc2)cc(N(CC)C2CCOCC2)c1C

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 18/20 0.77
▸ HDAC1 Q13547 2/20 0.55
▸ HDAC6 Q9UBN7 2/20 0.55
▸ EED O75530 2/20 0.54
▸ RBBP4 Q09028 2/20 0.54
▸ SUZ12 Q15022 2/20 0.54
▸ AEBP2 Q6ZN18 2/20 0.54
▸ PRMT3 O60678 1/20 0.50
▸ RBBP7 Q16576 1/20 0.50
▸ SETD7 Q8WTS6 1/20 0.50
▸ EZH1 Q92800 1/20 0.50

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
SCHEMBL21914671 0.91 EZH2 (0.65) EZH2HDAC1HDAC6EEDRBBP4
SCHEMBL24224510 0.88 EZH2 (0.80) EZH2HDAC1HDAC6
SCHEMBL13280847 0.87 EZH2 (1.00) EZH2HDAC1HDAC6EEDRBBP4
SCHEMBL24224497 0.87 EZH2 (0.76) EZH2EEDRBBP4SUZ12AEBP2
SCHEMBL24224571 0.86 EZH2 (0.64) EZH2HDAC1HDAC6EZH1
SCHEMBL30688044 0.82 EZH2 (1.00) EZH2HDAC1HDAC6EEDRBBP4
SCHEMBL13277257 0.82 EZH2 (1.00) EZH2HDAC1HDAC6EEDRBBP4
SCHEMBL18715186 0.82 EZH2 (0.57) EZH2
SCHEMBL19503337 0.82 EZH2 (0.55) EZH2HDAC1HDAC6EEDRBBP4
SCHEMBL22561478 0.81 EZH2 (0.59) EZH2HDAC1HDAC6EEDRBBP4

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-2825161-B1 INHIBITORS OF HUMAN EZH2, AND METHODS OF USE THEREOF EPIZYME INC (US) 2019-01-02 — — EP disclosed
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