SCHEMBL4680834

SCHEMBL4680834

NCc1ccc(Oc2ccc(-c3c[nH]c(COc4ccccc4)n3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.47
LOXL2 Q9Y4K0 1/20 0.44
MCL1 Q07820 1/20 0.43
XDH P47989 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LTA4H P09960 4/20 0.40
PLA2G2A P14555 3/20 0.40
ST14 Q9Y5Y6 1/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
FYN P06241 1/20 0.38

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 SCHEMBL4459252 0.99 MAOB (0.49) MAOBLOXL2MCL1XDHNPC1
SCHEMBL4684163 0.93 LTA4H (0.47) MAOBLOXL2MCL1XDHLTA4H
Hydrochloric Acid SCHEMBL4456777 0.92 LTA4H (0.48) MAOBLOXL2MCL1XDHLTA4H
SCHEMBL4686964 0.91 MCL1 (0.46) MCL1XDHNPC1RAB9ALTA4H
SCHEMBL4456543 0.89 MCL1 (0.54) MAOBMCL1XDHNPC1RAB9A
SCHEMBL3270671 0.88 MAOA (0.46) MAOBMCL1XDHNPC1RAB9A
Hydrochloric Acid SCHEMBL4461345 0.86 XDH (0.45) MAOBMCL1XDHNPC1RAB9A
SCHEMBL4460360 0.86 LTA4H (0.47) MCL1XDHNPC1RAB9ALTA4H
SCHEMBL4680896 0.86 MAOB (0.49) MAOBMCL1XDHNPC1RAB9A
SCHEMBL4456749 0.85 PRMT5 (0.43) MCL1XDHNPC1RAB9ALTA4H

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
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-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 disclosed