SCHEMBL11095461

SCHEMBL11095461

CCOC(C)n1cnc(-c2ccc(F)cc2)c1-c1cc(C)cs1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.47
MAPK13 O15264 6/20 0.47
MAPK12 P53778 6/20 0.47
MAPK11 Q15759 6/20 0.47
TGFBR1 P36897 10/20 0.38
TGFBR2 P37173 4/20 0.37
TNIK Q9UKE5 2/20 0.37

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
SCHEMBL7084894 0.92 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL10887828 0.89 LMNA (0.36) MAPK14MAPK13MAPK12MAPK11
SCHEMBL11175120 0.83 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL10846339 0.78 KDM5B (0.32)
SCHEMBL11083061 0.77 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL7084428 0.76 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL7084889 0.76 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL6583564 0.69 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6585407 0.69 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11
SCHEMBL29126881 0.67 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11TGFBR1

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