SCHEMBL30928336

SCHEMBL30928336

C=C(C(=O)OCC)c1ccc(Cn2ccnc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.57
CYP11B1 P15538 2/20 0.54
CYP11B2 P19099 2/20 0.54
TBXAS1 P24557 7/20 0.50
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL16684296 0.84 TBXAS1 (0.64) CYP19A1CYP11B1CYP11B2TBXAS1PDE4A
SCHEMBL30928338 0.84 CYP19A1 (0.56) CYP19A1CYP11B1CYP11B2TBXAS1PDE4A
SCHEMBL29239321 0.79 TBXAS1 (0.70) CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL11475999 0.78 CYP19A1 (0.55) CYP19A1CYP11B1CYP11B2TBXAS1PDE4A
SCHEMBL11475996 0.78 TBXAS1 (0.72) CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL11475995 0.78 TBXAS1 (0.72) CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL11474932 0.77 TBXAS1 (0.67) CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL12639833 0.77 CYP19A1 (0.68) CYP19A1CYP11B1CYP11B2TBXAS1
SCHEMBL24713772 0.77 CYP11B1 (0.68) CYP19A1CYP11B1CYP11B2TBXAS1POLB
SCHEMBL29239314 0.76 TBXAS1 (0.57) 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
CN-118005563-A N-benzyl imidazole derivative and preparation method and application thereof 中国药科大学 2024-05-10 CN disclosed