SCHEMBL31006511

SCHEMBL31006511

O=c1c2ccc(-c3ccccc3C(F)(F)F)cc2ccn1CCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 1/20 0.60
▸ HDAC6 Q9UBN7 2/20 0.43
▸ TRPA1 O75762 2/20 0.42
▸ GRM2 Q14416 1/20 0.41
▸ SLC13A5 Q86YT5 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ ACHE P22303 1/20 0.38
▸ PIK3R1 P27986 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ CASR P41180 1/20 0.37
▸ NR1D1 P20393 1/20 0.37
▸ HSD11B1 P28845 2/20 0.37
▸ NR3C1 P04150 1/20 0.36
▸ PGR P06401 1/20 0.36

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
SCHEMBL29283801 1.00 HSP90AB1 (0.60) HSP90AB1HDAC6TRPA1GRM2SLC13A5
SCHEMBL29283829 0.89 HSP90AB1 (0.46) HSP90AB1TRPA1GRM2PPARGPPARA
SCHEMBL31006558 0.89 HSP90AB1 (0.46) HSP90AB1TRPA1GRM2PPARGPPARA
SCHEMBL29283874 0.85 HSP90AB1 (0.64) HSP90AB1HDAC6GRM2ACHEFFAR1
SCHEMBL29283817 0.84 HSP90AB1 (0.65) HSP90AB1HDAC6GRM2BACE1ACHE
SCHEMBL31006522 0.84 HSP90AB1 (0.65) HSP90AB1HDAC6GRM2BACE1ACHE
SCHEMBL29283851 0.83 HSP90AB1 (0.64) HSP90AB1GRM2CASR
SCHEMBL31006513 0.82 HSP90AB1 (0.66) HSP90AB1HDAC6GRM2SLC13A5ACHE
SCHEMBL29283836 0.82 HSP90AB1 (0.66) HSP90AB1HDAC6GRM2SLC13A5ACHE
SCHEMBL31006527 0.82 HSP90AB1 (0.76) HSP90AB1HDAC6GRM2BACE1ACHE

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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