SCHEMBL14918491

SCHEMBL14918491

O=C(CCCCCCCc1noc(C(F)(F)F)n1)Nc1ccccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.50
HDAC2 Q92769 8/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
HDAC6 Q9UBN7 3/20 0.43
HDAC4 P56524 2/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC3 O15379 2/20 0.43
NCOR2 Q9Y618 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL14918426 1.00 HDAC1 (0.50) HDAC1HDAC2SMN1; SMN2RAB9ANPC1
SCHEMBL14918873 0.99 HDAC1 (0.48) HDAC1HDAC2SMN1; SMN2RAB9ANPC1
SCHEMBL14918752 0.88 HDAC1 (0.51) HDAC1HDAC2ALDH1A1MAPTGAA
SCHEMBL14918400 0.88 HDAC1 (0.51) HDAC1HDAC2ALDH1A1MAPTGAA
SCHEMBL14918841 0.88 HDAC1 (0.51) HDAC1HDAC2ALDH1A1MAPTGAA
SCHEMBL14917815 0.87 HDAC1 (0.52) HDAC1HDAC2ALDH1A1HDAC6HDAC4
SCHEMBL14917884 0.87 HDAC1 (0.52) HDAC1HDAC2ALDH1A1HDAC6HDAC4
SCHEMBL14918023 0.87 HDAC1 (0.52) HDAC1HDAC2ALDH1A1HDAC6HDAC4
SCHEMBL14919136 0.87 HDAC1 (0.52) HDAC1HDAC2ALDH1A1MAPTGAA
SCHEMBL14917792 0.86 HDAC1 (0.53) HDAC1HDAC2ALDH1A1HDAC6HDAC4

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 claimed