SCHEMBL11083061

SCHEMBL11083061

CCOC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccc(OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.52
MAPK13 O15264 4/20 0.52
MAPK12 P53778 4/20 0.52
MAPK11 Q15759 4/20 0.52
PTGS2 P35354 3/20 0.44
TGFBR1 P36897 8/20 0.43
TGFBR2 P37173 2/20 0.41
TNIK Q9UKE5 1/20 0.39
GRIA1 P42261 1/20 0.39
CACNG2 Q9Y698 1/20 0.39

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
SCHEMBL10993264 0.94 PTGS2 (0.49) MAPK14MAPK13MAPK12MAPK11PTGS2
SCHEMBL11175120 0.93 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL7084889 0.85 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL7084428 0.85 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL11083056 0.84 NPC1 (0.40) MAPK14MAPK13MAPK12MAPK11PTGS2
SCHEMBL7084894 0.77 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL11095461 0.77 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL6585407 0.76 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6583564 0.76 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11
SCHEMBL10887823 0.74 LMNA (0.41) MAPK14MAPK13MAPK12MAPK11PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4472422-A Antihypertensive 4,5-diaryl-α-polyfluoro-alkyl-1H-imidazole-2-methanamines E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-09-18 US disclosed