SCHEMBL29283840

SCHEMBL29283840

O=c1c2ccc(-c3ccccc3O)cc2ccn1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 1/20 0.48
▸ DHPS P49366 1/20 0.48
▸ ROCK2 O75116 1/20 0.44
▸ ROCK1 Q13464 1/20 0.44
▸ EGLN1 Q9GZT9 7/20 0.44
▸ HTT P42858 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ VEGFA P15692 2/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ METAP2 P50579 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ HSD17B1 P14061 1/20 0.40
▸ HSD17B2 P37059 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL31006533 1.00 HSP90AB1 (0.48) HSP90AB1DHPSROCK2ROCK1EGLN1
SCHEMBL29283851 0.88 HSP90AB1 (0.64) HSP90AB1ESR2METAP2GRM2
SCHEMBL31006510 0.85 HSP90AB1 (0.48) HSP90AB1DHPSROCK2ROCK1EGLN1
SCHEMBL29283815 0.85 HSP90AB1 (0.48) HSP90AB1DHPSROCK2ROCK1EGLN1
SCHEMBL29283816 0.85 HSP90AB1 (0.53) HSP90AB1DHPSROCK2ROCK1EGLN1
SCHEMBL31006529 0.85 HSP90AB1 (0.53) HSP90AB1DHPSROCK2ROCK1EGLN1
SCHEMBL31006516 0.84 HSP90AB1 (0.57) HSP90AB1DHPSROCK2ROCK1EGLN1
SCHEMBL29283795 0.84 HSP90AB1 (0.57) HSP90AB1DHPSROCK2ROCK1EGLN1
SCHEMBL31006562 0.83 THRB (0.42) HSP90AB1LMNAMEN1POLBKMT2A
SCHEMBL29283803 0.83 THRB (0.42) HSP90AB1LMNAMEN1POLBKMT2A

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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