SCHEMBL31006525

SCHEMBL31006525

O=c1c2ccc(-c3ccc(F)cc3)cc2ccn1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 1/20 0.53
▸ ROCK2 O75116 1/20 0.47
▸ ROCK1 Q13464 1/20 0.47
▸ SERPINE1 P05121 1/20 0.47
▸ HTR6 P50406 1/20 0.46
▸ BRD4 O60885 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MAPT P10636 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ GRK2 P25098 1/20 0.44
▸ SMN1; SMN2 Q16637 6/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ GRM2 Q14416 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 1/20 0.43

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
SCHEMBL29283875 1.00 HSP90AB1 (0.53) HSP90AB1ROCK2ROCK1SERPINE1HTR6
SCHEMBL31006516 0.92 HSP90AB1 (0.57) HSP90AB1ROCK2ROCK1SERPINE1HTR6
SCHEMBL29283795 0.92 HSP90AB1 (0.57) HSP90AB1ROCK2ROCK1SERPINE1HTR6
SCHEMBL29283796 0.90 HSP90AB1 (0.51) HSP90AB1ROCK2ROCK1SERPINE1HTR6
SCHEMBL31006536 0.90 HSP90AB1 (0.51) HSP90AB1ROCK2ROCK1SERPINE1HTR6
SCHEMBL29283865 0.87 HSP90AB1 (0.69) HSP90AB1ROCK2ROCK1SERPINE1BRD4
SCHEMBL31006529 0.87 HSP90AB1 (0.53) HSP90AB1ROCK2ROCK1SERPINE1HTR6
SCHEMBL29283816 0.87 HSP90AB1 (0.53) HSP90AB1ROCK2ROCK1SERPINE1HTR6
SCHEMBL31006545 0.86 HSP90AB1 (0.50) HSP90AB1ROCK2ROCK1HTR6BRD4
SCHEMBL29283808 0.86 HSP90AB1 (0.50) HSP90AB1ROCK2ROCK1HTR6BRD4

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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