SCHEMBL14918878

SCHEMBL14918878

O=C(CCCc1noc(C(F)(F)F)n1)Nc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.48
HDAC1 Q13547 3/20 0.48
HDAC3 O15379 2/20 0.48
HDAC2 Q92769 2/20 0.48
CNR2 P34972 3/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 1/20 0.44
HDAC4 P56524 1/20 0.43
MAPT P10636 3/20 0.43
TP53 P04637 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
FOLH1 Q04609 1/20 0.41
CNR1 P21554 1/20 0.41
ATM Q13315 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL14919134 0.96 HDAC1 (0.50) HDAC6HDAC1HDAC3HDAC2CNR2
SCHEMBL14918820 0.95 HDAC1 (0.52) HDAC6HDAC1HDAC3HDAC2CNR2
SCHEMBL14918334 0.95 HDAC1 (0.52) HDAC6HDAC1HDAC3HDAC2CNR2
SCHEMBL14917853 0.88 MAPT (0.53) HDAC6HDAC1MEN1KMT2AHDAC4
SCHEMBL14919092 0.86 L3MBTL1 (0.55) HDAC6HDAC1HDAC3HDAC2CNR2
SCHEMBL14918418 0.86 RAB9A (0.46) HDAC6CNR2MEN1KMT2AALDH1A1
SCHEMBL14934811 0.86 HDAC1 (0.52) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL14917930 0.85 MAPT (0.49) HDAC6HDAC1MEN1KMT2AHDAC4
SCHEMBL14934868 0.85 HDAC1 (0.54) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL14934891 0.85 HDAC1 (0.54) HDAC6HDAC1HDAC3HDAC2HDAC4

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

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