SCHEMBL28386468

SCHEMBL28386468

O=C(O)C=Cc1ccccc1CCOc1ccc(-c2ccnn2C2CCCCO2)nc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 18/20 0.58
▸ CYP4A11 Q02928 18/20 0.58
▸ ATR Q13535 2/20 0.35

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
SCHEMBL22070526 1.00 CYP4F2 (0.58) CYP4F2CYP4A11ATR
SCHEMBL29641987 0.90 CYP4F2 (0.55) CYP4F2CYP4A11ATR
SCHEMBL22070932 0.86 CYP4A11 (0.61) CYP4F2CYP4A11ATR
SCHEMBL22070764 0.86 CYP4F2 (0.62) CYP4F2CYP4A11ATR
SCHEMBL22070633 0.83 CYP4F2 (0.59) CYP4F2CYP4A11
SCHEMBL22071032 0.80 CYP4F2 (0.72) CYP4F2CYP4A11ATR
SCHEMBL22070819 0.80 CYP4F2 (0.62) CYP4F2CYP4A11ATR
SCHEMBL22070874 0.80 CYP4F2 (0.57) CYP4F2CYP4A11ATR
SCHEMBL22070689 0.80 CYP4F2 (0.66) CYP4F2CYP4A11ATR
SCHEMBL22070639 0.79 CYP4F2 (0.65) CYP4F2CYP4A11ATR

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-110914254-A Azole-substituted pyridine compound 大正制药株式会社 2020-03-24 — — CN disclosed
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