SCHEMBL11241508

SCHEMBL11241508

COc1ccc(CC(=O)Cn2ccnc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.66
PLA2G4A P47712 1/20 0.54
TBXAS1 P24557 3/20 0.52
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.50
TSHR P16473 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
SCHEMBL11240600 0.86 CYP19A1 (0.60) CYP19A1TBXAS1ALDH1A1KDM4EMAPT
SCHEMBL8803260 0.86 CYP19A1 (0.63) CYP19A1PLA2G4ATBXAS1ALDH1A1MAPT
Bromide SCHEMBL11242765 0.85 CYP19A1 (0.62) CYP19A1PLA2G4ATBXAS1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL411003 0.85 CYP19A1 (0.62) CYP19A1PLA2G4ATBXAS1ALDH1A1MAPT
SCHEMBL11235571 0.85 TBXAS1 (0.57) CYP19A1PLA2G4ATBXAS1
SCHEMBL8804155 0.84 PLA2G4A (0.61) CYP19A1PLA2G4ATBXAS1ALDH1A1MAPT
SCHEMBL9826233 0.84 CYP19A1 (0.60) CYP19A1PLA2G4ATBXAS1
SCHEMBL11248755 0.84 CYP19A1 (0.57) CYP19A1ALDH1A1KDM4EMAPT
SCHEMBL11238134 0.84 MEN1 (0.59) CYP19A1TBXAS1ALDH1A1KDM4EMAPT
SCHEMBL11248355 0.84 CYP19A1 (0.59) CYP19A1PLA2G4ATBXAS1ALDH1A1

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