SCHEMBL11279378

SCHEMBL11279378

O=C(CCc1ccc(F)cc1)CCn1ccnc1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.65
CYP11B1 P15538 1/20 0.55
CYP11B2 P19099 1/20 0.55
TBXAS1 P24557 5/20 0.55

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
SCHEMBL11274134 0.92 CYP19A1 (0.70) CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL410653 0.87 CYP19A1 (0.58) CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL11253750 0.86 CYP19A1 (0.55) CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL11256565 0.86 TBXAS1 (0.55) TBXAS1
SCHEMBL11237835 0.86 TBXAS1 (0.58) CYP19A1CYP11B1CYP11B2TBXAS1
Hydrochloric Acid SCHEMBL407087 0.86 CYP19A1 (0.57) CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL11240853 0.86 TBXAS1 (0.57) TBXAS1
Hydrochloric Acid SCHEMBL9996061 0.84 TBXAS1 (0.58) TBXAS1
SCHEMBL11240927 0.83 CYP19A1 (0.58) CYP19A1TBXAS1
SCHEMBL16719036 0.82 CYP19A1 (0.81) CYP19A1CYP11B1CYP11B2TBXAS1

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
EP-0064244-A1 Spermicidal 1-bis(arylalkyl)alkylimidazoles SYNTEX (U.S.A.) INC. (US) 1982-11-10 EP disclosed