SCHEMBL4685013

SCHEMBL4685013

O=Cc1ccccc1-c1ccc(-c2c[nH]c(COc3ccccc3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.40
RAB9A P51151 5/20 0.37
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
GSTP1 P09211 2/20 0.35
DAO P14920 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNB3 Q05901 1/20 0.34
MCL1 Q07820 2/20 0.33
ROCK2 O75116 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL4470385 0.92 FFAR4 (0.36) XDHRAB9ADAOMCL1ACACA
SCHEMBL4466562 0.82 RAB9A (0.45) XDHRAB9ANPC1SMN1; SMN2TP53
SCHEMBL5750522 0.81 RAB9A (0.43) XDHRAB9ANPC1SMN1; SMN2TP53
SCHEMBL4468971 0.80 XDH (0.43) XDHRAB9ANPC1SMN1; SMN2TP53
SCHEMBL5750527 0.79 LMNA (0.44) XDHRAB9ANPC1SMN1; SMN2TP53
SCHEMBL4686964 0.79 MCL1 (0.46) XDHRAB9ANPC1SMN1; SMN2TP53
SCHEMBL4464239 0.79 RAB9A (0.39) XDHRAB9ANPC1SMN1; SMN2TP53
SCHEMBL4457259 0.78 RAB9A (0.45) XDHRAB9ANPC1SMN1; SMN2TP53
SCHEMBL4681552 0.78 NR4A2 (0.49) RAB9ANPC1SMN1; SMN2MCL1
SCHEMBL4458347 0.77 VCP (0.42) XDHRAB9ANPC1SMN1; SMN2TP53

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 7 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
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