SCHEMBL29162256

SCHEMBL29162256

O=[N+]([O-])c1cccc(C2=CCOCC2)c1OC(F)C(F)F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.33
▸ S100A4 P26447 2/20 0.32
▸ PTPRC P08575 1/20 0.32
▸ PDCD1 Q15116 1/20 0.32
▸ CD274 Q9NZQ7 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ HSPB1 P04792 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.30
▸ CYP1A2 P05177 2/20 0.30
▸ CYP2D6 P10635 2/20 0.30
▸ CYP2C19 P33261 2/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ MAPK1 P28482 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
SCHEMBL26162646 0.91 MAPK14 (0.34) MAPK14S100A4PTPRCPDCD1CD274
SCHEMBL26162637 0.86 MAPK14 (0.36) MAPK14S100A4PTPRCPDCD1CD274
SCHEMBL29162262 0.84 ALDH1A1 (0.31) MAPTCYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL27168532 0.84 MAPK14 (0.35) MAPK14S100A4PTPRCPDCD1CD274
SCHEMBL26162781 0.84 MAPK14 (0.35) MAPK14S100A4PTPRCPDCD1CD274
SCHEMBL26162618 0.79 MAPT (0.39) MAPK14PDCD1CD274MAPTRECQL
SCHEMBL25197753 0.79 IDH2 (0.36) MAPK14RECQLCYP1A2CYP2D6CYP2C19
SCHEMBL29517002 0.79 IDH2 (0.36) MAPK14RECQLCYP1A2CYP2D6CYP2C19
SCHEMBL29516860 0.78 S100A4 (0.37) MAPK14S100A4PTPRCPDCD1CD274
SCHEMBL25529496 0.78 S100A4 (0.37) MAPK14S100A4PTPRCPDCD1CD274

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-116056766-A Nitrogen-containing heterocyclic compound or salt thereof, use thereof, and intermediate thereof 富士胶片株式会社 2023-05-02 — — CN disclosed
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