SCHEMBL31006521

SCHEMBL31006521

O=c1c2ccc(-c3ccccc3C(F)(F)F)cc2ccn1Cc1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ NR3C1 P04150 2/20 0.39
▸ NR1H2 P55055 2/20 0.39
▸ NR1H3 Q13133 2/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ TRPA1 O75762 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PGR P06401 1/20 0.38
▸ BACE1 P56817 1/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ NR1D1 P20393 2/20 0.37
▸ MKNK1 Q9BUB5 2/20 0.37
▸ MKNK2 Q9HBH9 2/20 0.37
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37

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
SCHEMBL29283824 1.00 THRB (0.40) THRBLMNATP53POLBNR3C1
SCHEMBL29283849 0.89 THRB (0.45) THRBLMNATP53POLBALDH1A1
SCHEMBL29283829 0.85 HSP90AB1 (0.46) LMNATP53POLBNR3C1TRPA1
SCHEMBL31006558 0.85 HSP90AB1 (0.46) LMNATP53POLBNR3C1TRPA1
SCHEMBL29283803 0.84 THRB (0.42) THRBLMNATP53POLBALDH1A1
SCHEMBL31006562 0.84 THRB (0.42) THRBLMNATP53POLBALDH1A1
SCHEMBL31006549 0.84 THRB (0.42) THRBLMNATP53POLBALDH1A1
SCHEMBL29283818 0.84 THRB (0.42) THRBLMNATP53POLBALDH1A1
SCHEMBL31006542 0.83 HSP90AB1 (0.46) THRBLMNATP53POLBALDH1A1
SCHEMBL29283860 0.83 HSP90AB1 (0.46) THRBLMNATP53POLBALDH1A1

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-118184635-A Quinolinone compound, pharmaceutical composition and application thereof 安徽医科大学 2024-06-14 — — CN disclosed
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