SCHEMBL31006558

SCHEMBL31006558

O=c1c2ccc(-c3ccccc3C(F)(F)F)cc2ccn1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 1/20 0.46
▸ RXFP1 Q9HBX9 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ DHPS P49366 1/20 0.43
▸ ROCK2 O75116 1/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ TRPA1 O75762 2/20 0.41
▸ BACE1 P56817 1/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ ACHE P22303 1/20 0.39
▸ CNR2 P34972 2/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ AR P10275 1/20 0.38
▸ GRM2 Q14416 1/20 0.38

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
SCHEMBL29283829 1.00 HSP90AB1 (0.46) HSP90AB1RXFP1POLBDHPSROCK2
SCHEMBL31006511 0.89 HSP90AB1 (0.60) HSP90AB1TRPA1BACE1TRPM8ACHE
SCHEMBL29283801 0.89 HSP90AB1 (0.60) HSP90AB1TRPA1BACE1TRPM8ACHE
SCHEMBL29283824 0.85 THRB (0.40) HSP90AB1POLBTRPA1BACE1TRPM8
SCHEMBL31006521 0.85 THRB (0.40) HSP90AB1POLBTRPA1BACE1TRPM8
SCHEMBL31006510 0.84 HSP90AB1 (0.48) HSP90AB1DHPSROCK2ROCK1LMNA
SCHEMBL29283815 0.84 HSP90AB1 (0.48) HSP90AB1DHPSROCK2ROCK1LMNA
SCHEMBL31006545 0.83 HSP90AB1 (0.50) HSP90AB1RXFP1ROCK2ROCK1MAPT
SCHEMBL29283808 0.83 HSP90AB1 (0.50) HSP90AB1RXFP1ROCK2ROCK1MAPT
SCHEMBL31006533 0.82 HSP90AB1 (0.48) HSP90AB1POLBDHPSROCK2ROCK1

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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