Imidazole

Imidazole

SCHEMBL5052057

COc1cccc(-c2nc(-c3ccccc3Cl)[nH]c2-c2cccc(OC)c2)c1.c1c[nH]cn1

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TEK Q02763 11/20 0.64
MAPK14 Q16539 7/20 0.57
MAPK13 O15264 4/20 0.57
MAPK12 P53778 4/20 0.57
MAPK11 Q15759 4/20 0.57
RAF1 P04049 3/20 0.57
ALOX5 P09917 1/20 0.48
GCGR P47871 1/20 0.45

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
SCHEMBL942701 0.89 TEK (0.70) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL29363034 0.89 TEK (0.70) TEKMAPK14MAPK13MAPK12MAPK11
Imidazole SCHEMBL7109750 0.83 TEK (0.55) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL30290596 0.78 MAPK13 (0.62) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL3454813 0.77 MAPK14 (0.71) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL3194058 0.75 TEK (0.73) TEKMAPK14MAPK13MAPK12MAPK11
Imidazole SCHEMBL26632663 0.75 MAPK13 (0.76) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL11212515 0.75 MAPK13 (0.76) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL7795648 0.74 MAPK14 (0.67) TEKMAPK14MAPK13MAPK12MAPK11
SCHEMBL29464077 0.74 MAPK14 (0.69) TEKMAPK14MAPK13MAPK12MAPK11

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
US-7381516-B2 Multiphoton photosensitization system 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-06-03 US disclosed
US-20040067431-A1 Multiphoton photosensitization system 3M INNOVATIVE PROPERTIES COMPANY 2004-04-08 US disclosed