SCHEMBL16744313

SCHEMBL16744313

CCCc1cc(C)[nH]c(=O)c1CNCl

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EED O75530 2/20 0.47
RBBP4 Q09028 2/20 0.47
SUZ12 Q15022 2/20 0.47
AEBP2 Q6ZN18 2/20 0.47
KDM4E B2RXH2 3/20 0.46
PKM P14618 1/20 0.46
EZH2 Q15910 15/20 0.43
EZH1 Q92800 4/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TYMP P19971 1/20 0.37

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
SCHEMBL16728899 0.89 KDM4E (0.42) EEDRBBP4SUZ12AEBP2KDM4E
SCHEMBL20991832 0.82 KDM4E (0.53) EEDRBBP4SUZ12AEBP2KDM4E
SCHEMBL17970524 0.81 EED (0.45) EEDRBBP4SUZ12AEBP2KDM4E
SCHEMBL1694684 0.79 KDM4E (0.50) EEDRBBP4SUZ12AEBP2KDM4E
SCHEMBL17885416 0.78 EZH2 (0.48) EEDRBBP4SUZ12AEBP2KDM4E
SCHEMBL17734330 0.78 KDM4E (0.47) EEDRBBP4SUZ12AEBP2KDM4E
Hydrochloric Acid SCHEMBL13280706 0.78 KDM4E (0.49) EEDRBBP4SUZ12AEBP2KDM4E
SCHEMBL17880825 0.74 EZH2 (0.45) EEDRBBP4SUZ12AEBP2KDM4E
SCHEMBL16377039 0.73 EZH2 (0.45) EEDRBBP4SUZ12AEBP2KDM4E
SCHEMBL17713635 0.72 EED (0.57) EEDRBBP4SUZ12AEBP2EZH2

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-2015077194-A1 INHIBITORS OF LYSINE METHYL TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-28 WO disclosed