SCHEMBL7982425

SCHEMBL7982425

O=C(C(=O)N(Cc1ccncc1)CC1CCCCC1)c1c[nH]c2cc(F)ccc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.43
MAPK14 Q16539 2/20 0.40
HAT1 O14929 1/20 0.38
EP300 Q09472 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
CYP19A1 P11511 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL3263677 0.89 GABRA1 (0.45) PKMMAPK14HAT1EP300ALDH1A1
SCHEMBL4566499 0.86 MAPT (0.52) ROCK2ROCK1ALDH1A1KMT2AMAPT
SCHEMBL7938686 0.85 ALDH1A1 (0.40) PKMMAPK14HAT1EP300ROCK2
SCHEMBL3120950 0.84 ALDH1A1 (0.40) PKMMAPK14ROCK2ROCK1ALDH1A1
SCHEMBL4306639 0.83 MAPK14 (0.37) PKMMAPK14ROCK2ROCK1ALDH1A1
SCHEMBL7946315 0.82 MAPK14 (0.36) PKMMAPK14ROCK2ROCK1ALDH1A1
SCHEMBL4304078 0.81 MAPK14 (0.43) PKMMAPK14ROCK2ROCK1HDAC1
SCHEMBL4313368 0.80 ALDH1A1 (0.43) MAPK14HDAC1HDAC6ALDH1A1MAPT
SCHEMBL4312756 0.80 HDAC1 (0.47) PKMROCK2ROCK1HDAC1HDAC6
SCHEMBL4310271 0.79 ALDH1A1 (0.41) MAPK14ROCK2ROCK1ALDH1A1MAPT

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-2009133387-A1 INDOLE- 3 -GLYOXYLAMIDE DERIVATIVES FOR USE AS CALCIUM ION CHANNEL MODULATORS LECTUS THERAPEUTICS LIMITED (GB) 2009-11-05 WO disclosed