SCHEMBL2648666

SCHEMBL2648666

c1ccc(Oc2ccc(-c3nc(-c4cccc(Oc5ccccc5)c4)c(-c4ccncc4)[nH]3)cc2)cc1

nearest known ligand 0.87

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 16/20 0.87
MAPK12 P53778 16/20 0.87
MAPK11 Q15759 16/20 0.87
MAPK14 Q16539 16/20 0.87
GCGR P47871 5/20 0.87
RAF1 P04049 12/20 0.76
MAPK9 P45984 2/20 0.66
BRAF P15056 4/20 0.65
BRDT Q58F21 1/20 0.65
ALOX5 P09917 2/20 0.61

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
SCHEMBL2647825 0.93 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL2650287 0.93 MAPK13 (0.80) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL2650067 0.93 MAPK13 (0.80) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL2647360 0.91 MAPK13 (0.77) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL2647873 0.90 MAPK13 (0.72) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL2647098 0.89 MAPK14 (0.80) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL2647680 0.88 MAPK14 (0.73) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL2649049 0.88 MAPK14 (0.78) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL2648004 0.88 MAPK14 (0.83) MAPK13MAPK12MAPK11MAPK14GCGR
SCHEMBL2650007 0.85 MAPK14 (0.81) MAPK13MAPK12MAPK11MAPK14GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0959886-A4 TRIARYL SUBSTITUTED IMIDAZOLES AS GLUCAGON ANTAGONISTS MERCK & CO INC (US) 2001-05-02 EP claimed
EP-0959886-A1 TRIARYL SUBSTITUTED IMIDAZOLES AS GLUCAGON ANTAGONISTS Merck & Co., Inc. (US) 1999-12-01 EP claimed
US-5880139-A TREATING DIABETES, OBESITY, HYPERTENSION, CACHEXIA MERCK & CO., INC. (US) 1999-03-09 US claimed
WO-1998022109-A1 TRIARYL SUBSTITUTED IMIDAZOLES AS GLUCAGON ANTAGONISTS MERCK & CO., INC. (US) 1998-05-28 WO claimed
EP-0959886-A4 TRIARYL SUBSTITUTED IMIDAZOLES AS GLUCAGON ANTAGONISTS MERCK & CO INC (US) 2001-05-02 EP disclosed
EP-0959886-A1 TRIARYL SUBSTITUTED IMIDAZOLES AS GLUCAGON ANTAGONISTS Merck & Co., Inc. (US) 1999-12-01 EP disclosed
US-5880139-A TREATING DIABETES, OBESITY, HYPERTENSION, CACHEXIA MERCK & CO., INC. (US) 1999-03-09 US disclosed
WO-1998022109-A1 TRIARYL SUBSTITUTED IMIDAZOLES AS GLUCAGON ANTAGONISTS MERCK & CO., INC. (US) 1998-05-28 WO disclosed