SCHEMBL6444773

SCHEMBL6444773

COc1ccc(COc2cccc(C(C=O)c3ccnc(SC)n3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
TLR4 O00206 1/20 0.40
TLR2 O60603 1/20 0.40
SMPD1 P17405 1/20 0.40
MAOB P27338 6/20 0.39
BCHE P06276 1/20 0.39
APP P05067 1/20 0.38
ALOX5 P09917 2/20 0.37
MAOA P21397 1/20 0.36
SLC2A1 P11166 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP27B1 O15528 1/20 0.36
CYP24A1 Q07973 1/20 0.36
CASR P41180 1/20 0.35
FFAR1 O14842 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
SCHEMBL5745770 0.91 SMN1; SMN2 (0.45) MAOBBCHEALOX5MAOASLC2A1
SCHEMBL6443197 0.90 CNR1 (0.43) TLR4TLR2SMPD1MAOBALOX5
SCHEMBL6440316 0.88 SMPD1 (0.41) RAB9ASMPD1MAOBMAOAKMT2A
SCHEMBL5747030 0.85 GPR132 (0.43)
SCHEMBL5746437 0.83 TLR4 (0.41) TLR4TLR2MAOAKMT2ASMN1; SMN2
SCHEMBL6441296 0.82 ALDH1A1 (0.40) NPC1RAB9AMAOAKMT2ACASR
SCHEMBL6443205 0.78 MAPK9 (0.34) NPC1RAB9AKMT2A
SCHEMBL6025036 0.75 GAA (0.38) NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL6024760 0.75 MAPK9 (0.34) NPC1RAB9AKMT2A
SCHEMBL6024314 0.75 MAPK9 (0.34) NPC1RAB9AKMT2A

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-1499577-A1 2-(2,6-DICHLOROPHENYL)-DIARYLIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2005-01-26 EP disclosed
WO-2003087026-A1 2-(2,6-DICHLOROPHENYL)-DIARYLIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-10-23 WO disclosed