SCHEMBL14918267

SCHEMBL14918267

NC(=O)c1cccc(NC(=O)CCCCc2noc(C(F)(F)F)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
HDAC1 Q13547 7/20 0.53
HDAC6 Q9UBN7 7/20 0.53
HDAC8 Q9BY41 4/20 0.53
PARP1 P09874 1/20 0.52
PARP10 Q53GL7 1/20 0.52
MAPT P10636 8/20 0.44
HDAC3 O15379 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HDAC5 Q9UQL6 1/20 0.42
GLA P06280 2/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL14917901 0.99 MEN1 (0.59) MEN1KMT2AHDAC1HDAC6HDAC8
SCHEMBL14918039 0.99 MEN1 (0.59) MEN1KMT2AHDAC1HDAC6HDAC8
SCHEMBL14918677 0.99 MEN1 (0.59) MEN1KMT2AHDAC1HDAC6HDAC8
SCHEMBL14918059 0.97 KMT2A (0.58) MEN1KMT2AHDAC1HDAC6HDAC8
SCHEMBL14918404 0.93 HDAC6 (0.56) MEN1KMT2AHDAC1HDAC6HDAC8
SCHEMBL14917930 0.89 MAPT (0.49) MEN1KMT2AHDAC1HDAC6HDAC8
SCHEMBL14918142 0.88 L3MBTL1 (0.48) MEN1KMT2AHDAC1HDAC6HDAC8
SCHEMBL14918280 0.88 L3MBTL1 (0.48) MEN1KMT2AHDAC1HDAC6HDAC8
SCHEMBL14917904 0.88 L3MBTL1 (0.48) MEN1KMT2AHDAC1HDAC6HDAC8
SCHEMBL14919179 0.87 MEN1 (0.47) MEN1KMT2AHDAC1HDAC6HDAC8

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