SCHEMBL14918892

SCHEMBL14918892

O=C(CCc1noc(C(F)(F)F)n1)Nc1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.57
HDAC6 Q9UBN7 4/20 0.57
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
KLF5 Q13887 1/20 0.54
LMNA P02545 4/20 0.50
NOTUM Q6P988 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
POLB P06746 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC3 O15379 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48

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
SCHEMBL14918538 0.93 LMNA (0.56) HDAC4HDAC6NPC1RAB9AKLF5
SCHEMBL14918429 0.92 HDAC4 (0.54) HDAC4HDAC6NPC1RAB9AKLF5
SCHEMBL14918567 0.91 HDAC4 (0.56) HDAC4HDAC6NPC1RAB9AKLF5
SCHEMBL14918877 0.91 HDAC4 (0.56) HDAC4HDAC6NPC1RAB9AKLF5
SCHEMBL14919138 0.91 HDAC4 (0.56) HDAC4HDAC6NPC1RAB9AKLF5
SCHEMBL14918963 0.86 HDAC6 (0.43) HDAC4HDAC6NPC1RAB9AKLF5
SCHEMBL14918927 0.81 MAPT (0.52) HDAC4HDAC6NPC1RAB9ALMNA
SCHEMBL14918783 0.81 HDAC6 (0.46) HDAC4HDAC6NPC1RAB9ANOTUM
SCHEMBL14918455 0.80 HDAC6 (0.51) HDAC4HDAC6NPC1RAB9AKLF5
SCHEMBL21824497 0.79 HDAC6 (0.54) HDAC4HDAC6NPC1RAB9AMEN1

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