SCHEMBL29283832

SCHEMBL29283832

COc1ccccc1-c1ccc2c(=O)n(CCc3ccccc3)ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 1/20 0.60
▸ P2RX3 P56373 3/20 0.48
▸ PSMB1 P20618 3/20 0.46
▸ PSMB2 P49721 3/20 0.46
▸ PSMB5 P28074 2/20 0.46
▸ TP53 P04637 1/20 0.44
▸ GRM2 Q14416 1/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ ICMT O60725 1/20 0.42
▸ PTPRC P08575 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ TNKS2 Q9H2K2 1/20 0.42
▸ ITGB1 P05556 1/20 0.42
▸ ITGA4 P13612 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HTR7 P34969 1/20 0.41
▸ TNF P01375 1/20 0.41
▸ FFAR1 O14842 1/20 0.41

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
SCHEMBL31006509 0.89 ICMT (0.51) HSP90AB1P2RX3PSMB1PSMB2PSMB5
SCHEMBL29283855 0.89 ICMT (0.51) HSP90AB1P2RX3PSMB1PSMB2PSMB5
SCHEMBL29283825 0.84 HSP90AB1 (0.65) HSP90AB1P2RX3GRM2ROCK2ROCK1
SCHEMBL29283874 0.83 HSP90AB1 (0.64) HSP90AB1P2RX3GRM2PTPRCPTPN1
SCHEMBL29283851 0.83 HSP90AB1 (0.64) HSP90AB1P2RX3GRM2L3MBTL1
SCHEMBL29283835 0.82 HSP90AB1 (0.63) HSP90AB1P2RX3GRM2ROCK2ROCK1
SCHEMBL31006526 0.82 HSP90AB1 (0.63) HSP90AB1P2RX3GRM2ROCK2ROCK1
SCHEMBL31006527 0.82 HSP90AB1 (0.76) HSP90AB1PSMB2GRM2ROCK2ROCK1
SCHEMBL29283806 0.82 HSP90AB1 (0.76) HSP90AB1PSMB2GRM2ROCK2ROCK1
SCHEMBL29283865 0.80 HSP90AB1 (0.69) HSP90AB1GRM2ROCK2ROCK1

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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