SCHEMBL28510608

SCHEMBL28510608

O=C(NCC(c1ccccc1)n1ccnc1)c1ccc2c(c1)OCCO2

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 18/20 0.66
CYP27B1 O15528 2/20 0.63
ALOX15 P16050 1/20 0.56
MAPK1 P28482 1/20 0.54

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
SCHEMBL28508110 0.82 CYP24A1 (0.72) CYP24A1CYP27B1
SCHEMBL28502275 0.82 RAB9A (0.52) ALOX15MAPK1
SCHEMBL7126449 0.80 CYP24A1 (0.94) CYP24A1CYP27B1
SCHEMBL1503385 0.77 CYP24A1 (1.00) CYP24A1CYP27B1
SCHEMBL8540395 0.77 CYP24A1 (1.00) CYP24A1CYP27B1
SCHEMBL1503388 0.77 CYP24A1 (1.00) CYP24A1CYP27B1
SCHEMBL28508109 0.73 CYP24A1 (1.00) CYP24A1CYP27B1
SCHEMBL7071390 0.73 CYP24A1 (0.74) CYP24A1CYP27B1
SCHEMBL7068036 0.73 CYP24A1 (0.74) CYP24A1CYP27B1
SCHEMBL7072584 0.73 CYP24A1 (0.74) CYP24A1CYP27B1

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-112194629-A Phenethyl azole derivative and preparation method and application thereof 聊城大学 2021-01-08 CN claimed
CN-112194629-A Phenethyl azole derivative and preparation method and application thereof 聊城大学 2021-01-08 CN disclosed