SCHEMBL11243771

SCHEMBL11243771

COc1cccc(CC2(Cn3ccnc3)OCC(C)(C)CO2)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.43
CYP19A1 P11511 4/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 1/20 0.40
HMOX1 P09601 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL11250541 0.90 HMOX1 (0.48) IDO1CYP19A1CYP11B1CYP11B2FNTA
SCHEMBL11232771 0.90 IDO1 (0.41) IDO1CYP19A1CYP11B1CYP11B2FNTA
SCHEMBL11243302 0.90 ALDH1A1 (0.41) IDO1CYP19A1CYP11B1CYP11B2FNTA
SCHEMBL11237866 0.90 HMOX1 (0.49) HMOX1
SCHEMBL11239983 0.88 HMOX1 (0.44) IDO1CYP19A1CYP11B1CYP11B2FNTA
SCHEMBL11246053 0.88 IDO1 (0.40) IDO1CYP19A1CYP11B1CYP11B2FNTA
SCHEMBL11234779 0.87 CYP19A1 (0.46) CYP19A1CYP11B1HMOX1
SCHEMBL11242420 0.86 CYP11B1 (0.54) CYP11B1CYP11B2HMOX1
SCHEMBL11237614 0.84 CYP1A2 (0.47) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL11237568 0.82 HMOX1 (0.56) IDO1HMOX1

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
EP-0049565-A2 Derivatives of substituted N-alkylimidazoles, their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1982-04-14 EP disclosed
US-4321272-A Derivatives of substituted N-alkylimidazoles SYNTEX (U.S.A.) INC. (US) 1982-03-23 US disclosed