SCHEMBL29283851

SCHEMBL29283851

O=c1c2ccc(-c3ccccc3O)cc2ccn1CCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 1/20 0.64
▸ CASR P41180 13/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ GRM2 Q14416 1/20 0.43
▸ METAP2 P50579 1/20 0.40
▸ DAO P14920 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ P2RX3 P56373 1/20 0.39

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 0.88 HSP90AB1 (0.48) HSP90AB1GRM2METAP2ESR2
SCHEMBL29283840 0.88 HSP90AB1 (0.48) HSP90AB1GRM2METAP2ESR2
SCHEMBL29283874 0.86 HSP90AB1 (0.64) HSP90AB1CASRGRM2METAP2DAO
SCHEMBL29283811 0.85 HSP90AB1 (0.69) HSP90AB1CASRL3MBTL1GRM2METAP2
SCHEMBL29283806 0.85 HSP90AB1 (0.76) HSP90AB1CASRL3MBTL1GRM2METAP2
SCHEMBL31006527 0.85 HSP90AB1 (0.76) HSP90AB1CASRL3MBTL1GRM2METAP2
SCHEMBL31006547 0.83 HSP90AB1 (0.67) HSP90AB1CASRL3MBTL1GRM2METAP2
SCHEMBL29283813 0.83 HSP90AB1 (0.67) HSP90AB1CASRL3MBTL1GRM2METAP2
SCHEMBL31006557 0.83 HSP90AB1 (0.60) HSP90AB1GRM2METAP2
SCHEMBL31006511 0.83 HSP90AB1 (0.60) HSP90AB1CASRGRM2

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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