SCHEMBL14918237

SCHEMBL14918237

CC(C)(CCCCc1noc(C(F)(F)F)n1)C(=O)Nc1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
ALDH1A1 P00352 3/20 0.37
ALOX15 P16050 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 2/20 0.37
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
ITGA2B P08514 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
FLT3 P36888 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL14918875 0.87 ATM (0.36) HDAC1HDAC8HDAC6
SCHEMBL14917800 0.86 HDAC6 (0.41) KDM4EHDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL14918554 0.83 HDAC1 (0.53) KDM4EHDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL14918374 0.83 PDK1 (0.44) KDM4EHDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL14918903 0.82 HDAC1 (0.55) KDM4EHDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL14918855 0.82 HDAC1 (0.55) KDM4EHDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL14918844 0.82 HDAC1 (0.55) KDM4EHDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL14918743 0.82 ALDH1A1 (0.56) KDM4EHDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL14918455 0.81 HDAC6 (0.51) HDAC1HDAC8HDAC6SMN1; SMN2NPC1
SCHEMBL14918896 0.81 MEN1 (0.41) HDAC1HDAC8HDAC6SMN1; SMN2NPC1

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
WO-2013066836-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 WO claimed
WO-2013066836-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 WO disclosed