SCHEMBL7215499

SCHEMBL7215499

CCn1nccc1N.CNc1ccc(OC)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.39
PDE4B Q07343 2/20 0.38
MAPT P10636 5/20 0.38
GAA P10253 4/20 0.38
L3MBTL1 Q9Y468 4/20 0.37
RAB9A P51151 4/20 0.37
KDM4E B2RXH2 3/20 0.37
NPC1 O15118 3/20 0.37
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
THRB P10828 1/20 0.37
RECQL P46063 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
APP P05067 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 2/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL221665 0.78
SCHEMBL174384 0.74 KDM4E (0.62) MAPTL3MBTL1KDM4EALDH1A1PKM
Hydrochloric Acid SCHEMBL540053 0.73 KDM4E (0.60) MAPTL3MBTL1KDM4EALDH1A1PKM
Hydrochloric Acid SCHEMBL29442137 0.73 KDM4E (0.60) MAPTL3MBTL1KDM4EALDH1A1PKM
SCHEMBL161436 0.72 RAB9A (0.67) NR4A1MAPTGAAL3MBTL1RAB9A
Hydrochloric Acid SCHEMBL163829 0.70 GAA (0.64) NR4A1MAPTGAAL3MBTL1RAB9A
SCHEMBL13127241 0.67 SAE1 (0.65) MAPTGAAL3MBTL1RAB9AKDM4E
SCHEMBL13127250 0.66 MAPT (0.58) NR4A1MAPTGAAL3MBTL1RAB9A
SCHEMBL20123327 0.66 MAPT (0.81) NR4A1MAPTGAAL3MBTL1RAB9A
SCHEMBL13107871 0.66 MAPT (0.58) NR4A1MAPTGAAL3MBTL1RAB9A

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
EP-1339702-A1 5-AMIDE SUBSTITUTED DIARYLAMINES AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2003-09-03 EP disclosed
WO-2001068619-A1 5-AMIDE SUBSTITUTED DIARYLAMINES AS MEX INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-09-20 WO disclosed