SCHEMBL19503277

SCHEMBL19503277

CCC(=O)N(c1cc(C(=O)NC/C(C)=C(C)/N=C(/C)NC=O)cc(-c2ccc(N3CCN(C)CC3)nc2)c1)C1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EZH2 Q15910 14/20 0.42
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ EED O75530 1/20 0.33
▸ RBBP4 Q09028 1/20 0.33
▸ SUZ12 Q15022 1/20 0.33
▸ AEBP2 Q6ZN18 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ ERN1 O75460 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL19503276 0.76 EZH2 (0.57) EZH2HDAC1HDAC6EEDRBBP4
SCHEMBL19503338 0.76 EZH2 (0.45) EZH2HDAC1HDAC6
SCHEMBL19503908 0.76 EZH2 (0.44) EZH2HDAC1HDAC6PIK3CANPC1
SCHEMBL19503267 0.76 EZH2 (0.71) EZH2HDAC1HDAC6EEDRBBP4
SCHEMBL19503495 0.72 EZH2 (0.46) EZH2HDAC1HDAC6EEDRBBP4
SCHEMBL19503331 0.72 EZH2 (0.46) EZH2HDAC1HDAC6EEDRBBP4
SCHEMBL19503339 0.72 EZH2 (0.46) EZH2HDAC1HDAC6EEDRBBP4
SCHEMBL19503340 0.71 EZH2 (0.47) EZH2HDAC1HDAC6EEDRBBP4
SCHEMBL19503335 0.71 EZH2 (0.48) EZH2HDAC1HDAC6EEDRBBP4
SCHEMBL19503336 0.71 EZH2 (0.46) 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
WO-2017184999-A1 EZH2 INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-10-26 — — WO disclosed
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