SCHEMBL28386458

SCHEMBL28386458

CC(C)(C(=O)O)c1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1.[NaH]

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 20/20 0.81
▸ CYP4A11 Q02928 20/20 0.81

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
SCHEMBL22070628 0.99 CYP4F2 (0.82) CYP4F2CYP4A11
SCHEMBL22071051 0.89 CYP4F2 (0.78) CYP4F2CYP4A11
SCHEMBL22070815 0.89 CYP4F2 (0.81) CYP4F2CYP4A11
SCHEMBL23309463 0.89 CYP4F2 (1.00) CYP4F2CYP4A11
SCHEMBL23309246 0.89 CYP4F2 (1.00) CYP4F2CYP4A11
SCHEMBL22070518 0.87 CYP4F2 (1.00) CYP4F2CYP4A11
SCHEMBL20730077 0.87 CYP4F2 (1.00) CYP4F2CYP4A11
SCHEMBL23309401 0.86 CYP4F2 (1.00) CYP4F2CYP4A11
SCHEMBL23309261 0.84 CYP4A11 (1.00) CYP4F2CYP4A11
SCHEMBL22098150 0.83 CYP4F2 (1.00) CYP4F2CYP4A11

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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