SCHEMBL28857752

SCHEMBL28857752

Fc1ccc(C2(Cn3ccnc3)CO2)cc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.51
CYP11B1 P15538 2/20 0.51
CYP11B2 P19099 2/20 0.51
HMOX1 P09601 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
SCHEMBL4966451 0.84 CYP11B1 (0.49) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL6153207 0.81 CYP19A1 (0.40) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL6153210 0.81 CYP19A1 (0.40) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL9426457 0.80 CYP19A1 (0.43) CYP19A1CYP11B1CYP11B2
SCHEMBL6153117 0.80 CYP19A1 (0.43) CYP19A1CYP11B1CYP11B2
SCHEMBL27672581 0.80 CYP19A1 (0.39) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL10857443 0.79 CYP19A1 (0.46) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL27672582 0.79 CYP19A1 (0.38) CYP19A1CYP11B1CYP11B2HMOX1
SCHEMBL10855602 0.78 CYP19A1 (0.42) CYP19A1CYP11B1CYP11B2
SCHEMBL10391318 0.77 CYP19A1 (0.43) CYP19A1CYP11B1CYP11B2HMOX1

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
CN-115028585-B Arylalkylazole derivative and application thereof 聊城大学 2023-08-18 CN disclosed
CN-115028585-A Arylalkanazole derivatives and use thereof 聊城大学 2022-09-09 CN disclosed