SCHEMBL20142362

SCHEMBL20142362

COC(=O)c1ccc(NC(C)c2ccccc2)cn1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 2/20 0.50
ASPH Q12797 2/20 0.50
KDM8 Q8N371 2/20 0.50
RIOX2 Q8IUF8 1/20 0.50
MAPK1 P28482 2/20 0.49
HDAC3 O15379 6/20 0.46
HDAC1 Q13547 6/20 0.46
HDAC6 Q9UBN7 5/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC4 P56524 2/20 0.46
HDAC2 Q92769 3/20 0.46
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KDM4C Q9H3R0 1/20 0.43

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
SCHEMBL21226799 1.00 KDM4E (0.50) KDM4EALDH1A1ASPHKDM8RIOX2
SCHEMBL20132427 1.00 KDM4E (0.50) KDM4EALDH1A1ASPHKDM8RIOX2
SCHEMBL20132456 0.87 MAPK1 (0.50) KDM4EALDH1A1MAPK1HDAC3HDAC1
SCHEMBL26697537 0.83 HDAC3 (0.65) KDM4EASPHKDM8RIOX2HDAC3
SCHEMBL20132369 0.83 HDAC3 (0.65) KDM4EASPHKDM8RIOX2HDAC3
SCHEMBL20132370 0.83 HDAC3 (0.65) KDM4EASPHKDM8RIOX2HDAC3
SCHEMBL24316097 0.78 MAPK1 (0.57) KDM4EALDH1A1MAPK1POLBKMT2A
SCHEMBL11399034 0.76 P4HTM (0.56) KDM4EALDH1A1ASPHKDM8RIOX2
SCHEMBL26698513 0.74 KDM4E (0.54) KDM4EALDH1A1MAPK1HDAC3HDAC1
SCHEMBL20209435 0.74 MAPK14 (0.53) KDM4EASPHKDM8HDAC3HDAC1

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-3538084-A1 PHENYL AND PYRIDINYL HYDROXAMIC ACIDS Acetylon Pharmaceuticals, Inc. (US) 2019-09-18 EP disclosed
WO-2018089651-A1 PHENYL AND PYRIDINYL HYDROXAMIC ACIDS ACETYLON PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed