SCHEMBL29283874

SCHEMBL29283874

O=c1c2ccc(-c3ccccc3F)cc2ccn1CCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 1/20 0.64
▸ GRM2 Q14416 2/20 0.43
▸ DAO P14920 1/20 0.43
▸ CASR P41180 2/20 0.40
▸ PTPRC P08575 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ METAP2 P50579 1/20 0.39
▸ TNKS O95271 1/20 0.38
▸ TNKS2 Q9H2K2 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ ASAH1 Q13510 1/20 0.38
▸ P2RX3 P56373 1/20 0.38
▸ GSK3B P49841 1/20 0.37
▸ FFAR1 O14842 1/20 0.37
▸ GNRHR P30968 1/20 0.37

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
SCHEMBL29283815 0.88 HSP90AB1 (0.48) HSP90AB1GRM2PTPRCPTPN1TNKS
SCHEMBL31006510 0.88 HSP90AB1 (0.48) HSP90AB1GRM2PTPRCPTPN1TNKS
SCHEMBL29283851 0.86 HSP90AB1 (0.64) HSP90AB1GRM2DAOCASRMETAP2
SCHEMBL29283865 0.85 HSP90AB1 (0.69) HSP90AB1GRM2CASRHDAC6METAP2
SCHEMBL31006511 0.85 HSP90AB1 (0.60) HSP90AB1GRM2CASRHDAC6ACHE
SCHEMBL29283801 0.85 HSP90AB1 (0.60) HSP90AB1GRM2CASRHDAC6ACHE
SCHEMBL31006527 0.85 HSP90AB1 (0.76) HSP90AB1GRM2CASRHDAC6METAP2
SCHEMBL29283806 0.85 HSP90AB1 (0.76) HSP90AB1GRM2CASRHDAC6METAP2
SCHEMBL31006508 0.83 HSP90AB1 (0.67) HSP90AB1GRM2CASRHDAC6METAP2
SCHEMBL29283810 0.83 HSP90AB1 (0.67) HSP90AB1GRM2CASRHDAC6METAP2

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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