SCHEMBL9826115

SCHEMBL9826115

O=C(O)c1ccc(/C=C(/COCc2ccc(F)cc2)Cn2ccnc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 11/20 0.48
CYP19A1 P11511 4/20 0.43
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
NR4A2 P43354 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL9826107 1.00 TBXAS1 (0.48) TBXAS1CYP19A1CYP11B1CYP11B2NR4A2
SCHEMBL9826120 1.00 TBXAS1 (0.48) TBXAS1CYP19A1CYP11B1CYP11B2NR4A2
SCHEMBL9826272 0.89 TBXAS1 (0.61) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL9826268 0.89 TBXAS1 (0.61) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL9826263 0.89 TBXAS1 (0.61) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL9826161 0.88 TBXAS1 (0.54) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL9826172 0.88 TBXAS1 (0.54) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL9826568 0.88 TBXAS1 (0.54) TBXAS1CYP19A1CYP11B1CYP11B2
SCHEMBL9826298 0.80 TBXAS1 (0.54) TBXAS1CYP19A1
SCHEMBL9826293 0.80 TBXAS1 (0.54) TBXAS1CYP19A1

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-0150892-B1 SUBSTITUTED ALKYLIDENE IMIDAZOLES G.D. Searle & Co. (US) 1991-04-24 EP disclosed