SCHEMBL14918404

SCHEMBL14918404

NC(=O)c1cccc(NC(=O)CCc2noc(C(F)(F)F)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.56
HDAC1 Q13547 5/20 0.56
HDAC8 Q9BY41 4/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
PARP1 P09874 1/20 0.49
PARP10 Q53GL7 1/20 0.49
MAPT P10636 7/20 0.46
GLA P06280 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
HDAC5 Q9UQL6 1/20 0.43
TP53 P04637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
HDAC4 P56524 1/20 0.41
CNR2 P34972 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
SCHEMBL14918059 0.94 KMT2A (0.58) HDAC6HDAC1HDAC8MEN1KMT2A
SCHEMBL14918267 0.93 MEN1 (0.60) HDAC6HDAC1HDAC8MEN1KMT2A
SCHEMBL14918677 0.92 MEN1 (0.59) HDAC6HDAC1HDAC8MEN1KMT2A
SCHEMBL14917901 0.92 MEN1 (0.59) HDAC6HDAC1HDAC8MEN1KMT2A
SCHEMBL14918039 0.92 MEN1 (0.59) HDAC6HDAC1HDAC8MEN1KMT2A
SCHEMBL14918498 0.88 HDAC6 (0.52) HDAC6HDAC1HDAC8MEN1KMT2A
SCHEMBL14918927 0.85 MAPT (0.52) HDAC6HDAC1HDAC8MEN1KMT2A
SCHEMBL14918950 0.82 MAPT (0.58) HDAC6HDAC1HDAC8MEN1KMT2A
SCHEMBL14918364 0.81 HDAC6 (0.52) HDAC6HDAC1HDAC8MEN1KMT2A
SCHEMBL14917853 0.81 MAPT (0.53) HDAC6HDAC1HDAC8MEN1KMT2A

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