SCHEMBL14917804

SCHEMBL14917804

NC(=O)c1ccccc1NC(=O)CCCc1noc(C(F)(F)F)n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.53
HDAC8 Q9BY41 5/20 0.53
HDAC6 Q9UBN7 5/20 0.53
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
HDAC3 O15379 2/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HDAC2 Q92769 1/20 0.39

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
SCHEMBL14917792 0.97 HDAC1 (0.53) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL14917815 0.96 HDAC1 (0.52) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL14917884 0.96 HDAC1 (0.52) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL14918023 0.96 HDAC1 (0.52) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL14918585 0.93 HDAC1 (0.55) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL14919002 0.86 HDAC4 (0.50) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL14918459 0.84 HDAC6 (0.48) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL14918873 0.83 HDAC1 (0.48) HDAC1HDAC8HDAC6ALDH1A1MAPT
SCHEMBL14918445 0.83 ALDH1A1 (0.52) HDAC1HDAC8HDAC6ALDH1A1MAPT
SCHEMBL14918426 0.83 HDAC1 (0.50) HDAC1HDAC8HDAC6ALDH1A1MAPT

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