SCHEMBL14918624

SCHEMBL14918624

O=C(CCCCCCCc1noc(C(F)(F)F)n1)Nc1ccncn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 11/20 0.38
HDAC6 Q9UBN7 10/20 0.38
HDAC1 Q13547 9/20 0.38
HDAC2 Q92769 6/20 0.38
HDAC8 Q9BY41 5/20 0.38
HDAC3 O15379 4/20 0.38
HDAC7 Q8WUI4 4/20 0.38
HDAC10 Q969S8 4/20 0.38
HDAC11 Q96DB2 4/20 0.38
HDAC9 Q9UKV0 4/20 0.38
HDAC5 Q9UQL6 4/20 0.38
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
DEGS1 O15121 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL14918661 1.00 HDAC4 (0.38) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL14918912 1.00 HDAC4 (0.38) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL14918419 0.99 HDAC4 (0.38) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL14918808 0.96 HDAC4 (0.39) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL14918729 0.91 HDAC4 (0.40) HDAC4HDAC6HDAC1
SCHEMBL14918903 0.86 HDAC1 (0.55) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL14918844 0.86 HDAC1 (0.55) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL14918855 0.86 HDAC1 (0.55) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL14918554 0.85 HDAC1 (0.53) HDAC4HDAC6HDAC1HDAC2HDAC8
SCHEMBL14918655 0.84 HDAC1 (0.43) HDAC4HDAC6HDAC1HDAC2HDAC8

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