SCHEMBL14917815

SCHEMBL14917815

NC(=O)c1ccccc1NC(=O)CCCCCc1noc(C(F)(F)F)n1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.52
HDAC8 Q9BY41 5/20 0.52
HDAC6 Q9UBN7 4/20 0.52
HDAC2 Q92769 10/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HDAC3 O15379 5/20 0.43
HCAR2 Q8TDS4 1/20 0.42
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
NCOR2 Q9Y618 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL14918023 1.00 HDAC1 (0.52) HDAC1HDAC8HDAC6HDAC2MEN1
SCHEMBL14917884 1.00 HDAC1 (0.52) HDAC1HDAC8HDAC6HDAC2MEN1
SCHEMBL14917792 0.99 HDAC1 (0.53) HDAC1HDAC8HDAC6HDAC2MEN1
SCHEMBL14917804 0.96 HDAC1 (0.53) HDAC1HDAC8HDAC6HDAC2MEN1
SCHEMBL14918585 0.91 HDAC1 (0.55) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL14918491 0.87 HDAC1 (0.50) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL14918426 0.87 HDAC1 (0.50) HDAC1HDAC8HDAC6HDAC2HDAC3
SCHEMBL14918752 0.86 HDAC1 (0.51) HDAC1HDAC8HDAC6HDAC2MEN1
SCHEMBL14918400 0.86 HDAC1 (0.51) HDAC1HDAC8HDAC6HDAC2MEN1
SCHEMBL14918841 0.86 HDAC1 (0.51) HDAC1HDAC8HDAC6HDAC2MEN1

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