SCHEMBL7210882

SCHEMBL7210882

CN(C)c1ccc(N)cc1.Nc1ccc2cn[nH]c2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.72
KMT2A Q03164 3/20 0.72
MAPT P10636 3/20 0.72
KDM4E B2RXH2 3/20 0.72
PKM P14618 1/20 0.72
HTT P42858 1/20 0.72
ALDH1A1 P00352 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
RAB9A P51151 2/20 0.53
HIF1A Q16665 2/20 0.53
ROCK2 O75116 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
ROCK1 Q13464 1/20 0.53
CYP3A4 P08684 3/20 0.50
ALOX15 P16050 2/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.50
NOS1 P29475 3/20 0.45
DYRK1A Q13627 2/20 0.45

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
SCHEMBL29559746 0.85 MAPT (1.00) MEN1KMT2AMAPTKDM4EPKM
SCHEMBL177260 0.85 MAPT (1.00) MEN1KMT2AMAPTKDM4EPKM
SCHEMBL14137873 0.83 NOS1 (0.53) MEN1KMT2AMAPTKDM4EPKM
Bromide SCHEMBL2931157 0.83 MAPT (0.96) MEN1KMT2AMAPTKDM4EPKM
Hydrochloric Acid SCHEMBL3871258 0.83 MAPT (0.96) MEN1KMT2AMAPTKDM4EPKM
Bromide SCHEMBL2933643 0.83 MAPT (0.96) MEN1KMT2AMAPTKDM4EPKM
Hydrochloric Acid SCHEMBL2925515 0.83 MAPT (0.96) MEN1KMT2AMAPTKDM4EPKM
Hydrochloric Acid SCHEMBL29176224 0.82 NOS1 (0.52) MEN1KMT2AMAPTKDM4EPKM
SCHEMBL28140797 0.74 MAPT (0.77) MEN1KMT2AMAPTKDM4EPKM
SCHEMBL3105606 0.73 ROCK2 (0.53) MEN1KMT2AMAPTKDM4EALDH1A1

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