SCHEMBL31006557

SCHEMBL31006557

N#Cc1ccccc1-c1ccc2c(=O)n(CCc3ccccc3)ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 1/20 0.60
▸ ADORA2A P29274 2/20 0.49
▸ GRM2 Q14416 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ FFAR1 O14842 1/20 0.38
▸ AKR1B1 P15121 1/20 0.38

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
SCHEMBL29283837 1.00 HSP90AB1 (0.60) HSP90AB1ADORA2AGRM2ALDH1A1MAPK1
SCHEMBL29283807 0.89 ALDH1A1 (0.47) HSP90AB1ADORA2AALDH1A1MAPK1MEN1
SCHEMBL31006531 0.89 ALDH1A1 (0.47) HSP90AB1ADORA2AALDH1A1MAPK1MEN1
SCHEMBL29283877 0.84 HSP90AB1 (0.65) HSP90AB1ADORA2AGRM2ALDH1A1MAPK1
SCHEMBL31006553 0.84 HSP90AB1 (0.65) HSP90AB1ADORA2AGRM2ALDH1A1MAPK1
SCHEMBL29283851 0.83 HSP90AB1 (0.64) HSP90AB1GRM2METAP2
SCHEMBL29283874 0.83 HSP90AB1 (0.64) HSP90AB1GRM2FFAR1HDAC6METAP2
SCHEMBL31006546 0.82 HSP90AB1 (0.63) HSP90AB1ADORA2AGRM2ALDH1A1MAPK1
SCHEMBL29283858 0.82 HSP90AB1 (0.63) HSP90AB1ADORA2AGRM2ALDH1A1MAPK1
SCHEMBL31006527 0.82 HSP90AB1 (0.76) HSP90AB1GRM2HDAC6METAP2

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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