SCHEMBL6476182

SCHEMBL6476182

Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1NC(=O)c1cccc(OCC2CO2)c1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.69
SMO Q99835 1/20 0.65
OPRK1 P41145 1/20 0.53
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
RAF1 P04049 1/20 0.49
BRAF P15056 1/20 0.49

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
SCHEMBL7107912 0.96 MAPK14 (0.64) MAPK14SMOOPRK1MEN1NPC1
SCHEMBL6485519 0.87 MAPK14 (0.89) MAPK14SMOMEN1KMT2ARAF1
SCHEMBL6782804 0.87 MAPK14 (0.73) MAPK14SMONPC1RAB9ARAF1
SCHEMBL6487036 0.86 MAPK14 (0.66) MAPK14SMOOPRK1MEN1NPC1
SCHEMBL6486377 0.85 MAPK14 (0.63) MAPK14SMOOPRK1MEN1NPC1
SCHEMBL6476015 0.85 MAPK14 (0.65) MAPK14SMOOPRK1MEN1NPC1
SCHEMBL6477567 0.85 MAPK14 (0.62) MAPK14SMOOPRK1RAF1BRAF
SCHEMBL6484389 0.82 MAPK14 (0.70) MAPK14SMORAB9ARAF1BRAF
SCHEMBL6478056 0.82 MAPK14 (0.68) MAPK14SMORAB9ARAF1BRAF
SCHEMBL6476258 0.82 OPRK1 (0.62) MAPK14SMOOPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6956037-B2 Benzamide derivatives for the treatment of diseases mediated by cytokines ASTRAZENECA AB (SE) 2005-10-18 US disclosed
EP-1077931-B1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 2004-11-17 EP disclosed
US-6579872-B1 Such as TNF, in particular of TNF alpha, and various interleukins, in particular IL-1; N-(5-(4-(3-hydroxypropoxy)benzamido)-2-methylphenyl)-3,4-dimethoxybenzamide ASTRAZENECA AB (SE) 2003-06-17 US disclosed