SCHEMBL4680896

SCHEMBL4680896

Nc1cccc(Oc2ccc(-c3c[nH]c(COc4ccccc4)n3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.49
XDH P47989 2/20 0.45
CHEK2 O96017 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MCL1 Q07820 1/20 0.42
LTA4H P09960 2/20 0.41
BTK Q06187 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TNK2 Q07912 1/20 0.40
PLA2G2A P14555 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRM5 P41594 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 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
Hydrochloric Acid SCHEMBL4459819 0.99 MAOB (0.48) MAOBXDHCHEK2NPC1RAB9A
SCHEMBL3270671 0.90 MAOA (0.46) MAOBXDHCHEK2NPC1RAB9A
Hydrochloric Acid SCHEMBL4461345 0.89 XDH (0.45) MAOBXDHCHEK2NPC1RAB9A
SCHEMBL4686964 0.89 MCL1 (0.46) XDHNPC1RAB9AMCL1LTA4H
SCHEMBL4684163 0.86 LTA4H (0.47) MAOBXDHMCL1LTA4HPLA2G2A
SCHEMBL4459880 0.86 RAB9A (0.44) XDHCHEK2NPC1RAB9AMCL1
SCHEMBL4460374 0.86 MCL1 (0.45) MAOBXDHNPC1RAB9AMCL1
SCHEMBL4464283 0.86 HTT (0.45) XDHNPC1RAB9AMCL1CYP1A2
SCHEMBL4460356 0.86 LOXL2 (0.42) MAOBXDHNPC1RAB9AMCL1
SCHEMBL4680834 0.86 MAOB (0.47) MAOBXDHNPC1RAB9AMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638943-B1 NOVEL IMIDAZOLE DERIVATIVES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT SOD CONSEILS RECH APPLIC (FR) 2008-08-06 EP claimed
JP-2007501267-A 2007-01-25 JP claimed
EP-1638943-A2 NOVEL IMIDAZOLE DERIVATIVES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2006-03-29 EP claimed
WO-2004106307-A2 NOVEL IMIDAZOLE DERIVATIVES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-12-09 WO claimed
EP-1638943-A2 NOVEL IMIDAZOLE DERIVATIVES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2006-03-29 EP disclosed
WO-2004106307-A2 NOVEL IMIDAZOLE DERIVATIVES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-12-09 WO disclosed