SCHEMBL6440316

SCHEMBL6440316

CSc1nccc(C(C=O)c2cccc(OCc3ccc(C#N)cc3)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.41
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 1/20 0.37
CYP3A4 P08684 2/20 0.37
CYP26A1 O43174 1/20 0.37
MAOB P27338 7/20 0.36
MAOA P21397 4/20 0.36
SPHK2 Q9NRA0 2/20 0.36
SPHK1 Q9NYA1 1/20 0.36
RAB9A P51151 1/20 0.35
SGMS2 Q8NHU3 1/20 0.35
ACHE P22303 1/20 0.35
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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 0.88 SMN1; SMN2 (0.45) MAOBMAOASGMS2KMT2ASMN1; SMN2
SCHEMBL6443197 0.88 CNR1 (0.43) SMPD1MAOBMAOAKMT2ASMN1; SMN2
SCHEMBL6444773 0.88 NPC1 (0.47) SMPD1MAOBMAOARAB9AKMT2A
SCHEMBL5747030 0.83 GPR132 (0.43)
SCHEMBL5746437 0.81 TLR4 (0.41) MAOAKMT2ASMN1; SMN2
SCHEMBL6441296 0.79 ALDH1A1 (0.40) MAOARAB9AKMT2A
SCHEMBL27548592 0.78 SMPD1 (0.45) SMPD1CYP11B1CYP11B2CYP3A4CYP26A1
SCHEMBL27548614 0.76 SMPD1 (0.42) SMPD1CYP11B1CYP11B2CYP3A4CYP26A1
SCHEMBL6443205 0.75 MAPK9 (0.34) RAB9AKMT2A
SCHEMBL6444776 0.75 KEAP1 (0.41) RAB9AACHEKMT2ASMN1; SMN2

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