SCHEMBL31571878

SCHEMBL31571878

CCc1c(N)cc(F)c(OC(C)=O)c1F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP4F2 P78329 2/20 0.36
▸ CYP4A11 Q02928 2/20 0.36
▸ ALOX5 P09917 2/20 0.31
▸ CA2 P00918 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ BACE1 P56817 1/20 0.30

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
SCHEMBL17010304 0.72 CYP4F2 (0.40) KDM4EALDH1A1CYP4F2CYP4A11HPGD
SCHEMBL20045615 0.71 CYP4F2 (0.40) KDM4EALDH1A1CYP4F2CYP4A11HPGD
SCHEMBL1994881 0.69 CA1 (0.43) KDM4EALDH1A1CYP4F2CYP4A11CA2
SCHEMBL24445861 0.69 PREP (0.41) KDM4EALDH1A1CYP4F2CYP4A11ALOX5
SCHEMBL24436807 0.69 KDM4E (0.41) KDM4EALDH1A1CYP4F2CYP4A11HPGD
SCHEMBL7879433 0.68 CYP4F2 (0.37) KDM4EALDH1A1CYP4F2CYP4A11CA2
SCHEMBL5438858 0.68 CYP4F2 (0.47) KDM4EALDH1A1CYP4F2CYP4A11HPGD
SCHEMBL3985018 0.68 CYP4F2 (0.38) CYP4F2CYP4A11ALOX5CA2BACE1
SCHEMBL22443160 0.67 HTT (0.42) KDM4EALDH1A1SMN1; SMN2CYP4F2CYP4A11
SCHEMBL11558269 0.66 ALDH1A1 (0.41) KDM4EALDH1A1SMN1; SMN2ALOX5CA2

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-119930644-A Phosphodiesterase 4B inhibitor and preparation method and application thereof 合肥医工医药股份有限公司 2025-05-06 — — CN disclosed
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