SCHEMBL5285579

SCHEMBL5285579

NC(=O)c1ncccc1-c1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 2/20 0.46
MKNK1 Q9BUB5 2/20 0.44
MKNK2 Q9HBH9 2/20 0.44
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
CDC7 O00311 2/20 0.42
GRM2 Q14416 1/20 0.42
DBF4 Q9UBU7 1/20 0.41
PARP1 P09874 2/20 0.40
ALDH1A1 P00352 1/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
F7 P08709 1/20 0.39
F3 P13726 1/20 0.39
LRRK2 Q5S007 1/20 0.39
SLC9A1 P19634 1/20 0.39
DHODH Q02127 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
SCHEMBL4560363 0.87 MKNK1 (0.50) MAPTKDM4EMKNK1MKNK2RAB9A
SCHEMBL17136101 0.85 MKNK1 (0.43) MAPTHTTKDM4EMKNK1MKNK2
SCHEMBL27994859 0.84 KDM4E (0.52) MAPTKDM4ENPC1RAB9AALDH1A1
SCHEMBL30166671 0.84 MAPK9 (0.44) MAPTMKNK1MKNK2GRM2SLC9A1
SCHEMBL319270 0.83 MAPT (0.49) MAPTHTTKDM4EMKNK1MKNK2
Hydrochloric Acid SCHEMBL18694922 0.82 MAPT (0.47) MAPTHTTKDM4EMKNK1MKNK2
SCHEMBL4805739 0.81 ALDH1A1 (0.46) MAPTKDM4EMKNK1MKNK2RAB9A
SCHEMBL27641163 0.79 IKBKB (0.51) MAPTHTTMKNK1MKNK2NPC1
SCHEMBL231896 0.79 MKNK1 (0.56) MAPTHTTKDM4EMKNK1MKNK2
SCHEMBL17028059 0.78 MKNK1 (0.50) MAPTKDM4EMKNK1MKNK2RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105732616-A Pyrrolopyridine compounds containing biaryl amide structure, preparation method and applications thereof 江西科技师范大学 2016-07-06 CN disclosed
CN-105153026-A Biaryl amide structure containing sorafenib derivative as well as preparation method and applications thereof UNIV JIANGXI NORMAL SCI & TECH 2015-12-16 CN disclosed
EP-1611096-A4 BENZAMIDE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO INC (US) 2007-08-29 EP disclosed
EP-1611096-A2 BENZAMIDE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co. Inc. (US) 2006-01-04 EP disclosed
WO-2004087048-A2 BENZAMIDE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO. INC. (US) 2004-10-14 WO disclosed