SCHEMBL31006509

SCHEMBL31006509

COc1ccccc1-c1ccc2c(=O)n(Cc3ccccc3)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ICMT O60725 2/20 0.51
▸ ROCK2 O75116 1/20 0.51
▸ ROCK1 Q13464 1/20 0.51
▸ ITGB1 P05556 6/20 0.47
▸ ITGA4 P13612 6/20 0.47
▸ HSP90AB1 P08238 1/20 0.46
▸ P2RX7 Q99572 1/20 0.44
▸ PTPRC P08575 1/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ PSMB1 P20618 2/20 0.44
▸ PSMB2 P49721 2/20 0.44
▸ TNKS2 Q9H2K2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ DHPS P49366 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ PSMB5 P28074 1/20 0.42
▸ GRM2 Q14416 1/20 0.42
▸ P2RX3 P56373 1/20 0.42

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
SCHEMBL29283855 1.00 ICMT (0.51) ICMTROCK2ROCK1ITGB1ITGA4
SCHEMBL29283832 0.89 HSP90AB1 (0.60) ICMTROCK2ROCK1ITGB1ITGA4
SCHEMBL29283799 0.84 LMNA (0.46) ROCK2ROCK1P2RX7PTPRCPTPN1
SCHEMBL31006544 0.84 LMNA (0.46) ROCK2ROCK1P2RX7PTPRCPTPN1
SCHEMBL29283819 0.83 ROCK2 (0.60) ROCK2ROCK1HSP90AB1LMNAGRM2
SCHEMBL31006514 0.83 ROCK2 (0.60) ROCK2ROCK1HSP90AB1LMNAGRM2
SCHEMBL31006533 0.82 HSP90AB1 (0.48) ROCK2ROCK1HSP90AB1LMNADHPS
SCHEMBL29283815 0.82 HSP90AB1 (0.48) ROCK2ROCK1HSP90AB1PTPRCPTPN1
SCHEMBL31006510 0.82 HSP90AB1 (0.48) ROCK2ROCK1HSP90AB1PTPRCPTPN1
SCHEMBL29283840 0.82 HSP90AB1 (0.48) ROCK2ROCK1HSP90AB1LMNADHPS

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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