SCHEMBL14918545

SCHEMBL14918545

COc1ccc(NC(=O)CCCCCCCc2noc(C(F)(F)F)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
HDAC1 Q13547 7/20 0.54
HDAC8 Q9BY41 5/20 0.54
HDAC2 Q92769 5/20 0.54
HDAC3 O15379 3/20 0.54
HDAC4 P56524 3/20 0.54
HDAC7 Q8WUI4 3/20 0.54
HDAC10 Q969S8 3/20 0.54
HDAC11 Q96DB2 3/20 0.54
HDAC6 Q9UBN7 3/20 0.54
HDAC9 Q9UKV0 3/20 0.54
HDAC5 Q9UQL6 3/20 0.54
MAPT P10636 4/20 0.53
TP53 P04637 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
CNR1 P21554 1/20 0.48
ALDH1A1 P00352 3/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL14918539 1.00 L3MBTL1 (0.56) L3MBTL1HDAC1HDAC8HDAC2HDAC3
SCHEMBL14918439 1.00 L3MBTL1 (0.56) L3MBTL1HDAC1HDAC8HDAC2HDAC3
SCHEMBL14919184 0.99 L3MBTL1 (0.57) L3MBTL1HDAC1HDAC8HDAC2HDAC3
SCHEMBL14919092 0.96 L3MBTL1 (0.55) L3MBTL1HDAC1HDAC8HDAC2HDAC3
SCHEMBL14918925 0.91 MAPT (0.59) L3MBTL1HDAC1HDAC8HDAC2HDAC3
SCHEMBL14918725 0.88 MAPT (0.52) L3MBTL1HDAC1HDAC8HDAC2HDAC3
SCHEMBL14918935 0.88 MAPT (0.52) L3MBTL1HDAC1HDAC8HDAC2HDAC3
SCHEMBL14918847 0.88 MAPT (0.52) L3MBTL1HDAC1HDAC8HDAC2HDAC3
SCHEMBL14918334 0.87 HDAC1 (0.52) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL14918820 0.87 HDAC1 (0.52) HDAC1HDAC8HDAC2HDAC3HDAC4

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 disclosed