SCHEMBL9905211

SCHEMBL9905211

Cc1cnc(C(C)C)nc1-c1cc(-n2c(C)c(C)c(OCc3ccn(C)n3)c(Cl)c2=O)ccn1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
BRD4 O60885 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
JMJD6 Q6NYC1 3/20 0.31
PFKFB3 Q16875 2/20 0.31

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
SCHEMBL9905480 0.93 ALOX5AP (0.31) BRD4ALOX5APFEN1JMJD6PFKFB3
SCHEMBL9901328 0.89 MAPKAPK2 (0.37) HDAC1HDAC6HDAC5BRD4JMJD6
SCHEMBL9111507 0.87 MAPKAPK2 (0.38) HDAC1HDAC6HDAC5BRD4JMJD6
SCHEMBL9905057 0.86 MAPKAPK2 (0.38) HDAC1HDAC6HDAC5BRD4JMJD6
SCHEMBL9905052 0.86 BRD4 (0.32) BRD4
SCHEMBL9905168 0.85 NMT1 (0.40) FEN1
SCHEMBL9905454 0.85 JMJD6 (0.33) BRD4ALOX5APFEN1JMJD6PFKFB3
SCHEMBL9111940 0.84 JMJD6 (0.33) BRD4JMJD6PFKFB3
SCHEMBL9901763 0.83 MAOB (0.35) BRD4
SCHEMBL9900903 0.81 MAPKAPK2 (0.46)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2648516-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS Confluence Life Sciences, Inc. (US) 2013-10-16 EP claimed
WO-2012078684-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS CONFLUENCE LIFE SCIENCES, INC. (US) 2012-06-14 WO claimed