SCHEMBL11235571

SCHEMBL11235571

CC(C)(C)Oc1ccc(CC(=O)Cn2ccnc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 6/20 0.57
PLA2G4A P47712 1/20 0.51
CYP19A1 P11511 3/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50

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
SCHEMBL11241508 0.85 CYP19A1 (0.66) TBXAS1PLA2G4ACYP19A1
SCHEMBL11242815 0.83 KMT2A (0.48) TBXAS1PLA2G4A
SCHEMBL11248355 0.81 CYP19A1 (0.59) TBXAS1PLA2G4ACYP19A1CYP11B1CYP11B2
SCHEMBL11433594 0.81 HMOX2 (0.54) TBXAS1PLA2G4ACYP19A1CYP11B1CYP11B2
SCHEMBL6948775 0.78 CYP19A1 (0.59) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL11239699 0.78 CYP19A1 (0.61) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL11238973 0.78 HMOX2 (0.64) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL10333093 0.77 HMOX1 (0.49) TBXAS1
SCHEMBL11242327 0.77 LMNA (0.54) TBXAS1PLA2G4ACYP19A1
Hydrochloric Acid SCHEMBL11265743 0.77 CYP19A1 (0.59) TBXAS1CYP19A1CYP11B1CYP11B2

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