SCHEMBL29240053

SCHEMBL29240053

CNc1cc(NCC(C)C)c(N)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNG2 P59768 1/20 0.44
▸ GNB1 P62873 1/20 0.44
▸ MAPT P10636 4/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ EGFR P00533 1/20 0.44
▸ PABPC1 P11940 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ P2RY4 P51582 12/20 0.42
▸ P2RY2 P41231 6/20 0.41
▸ CYP1A1 P04798 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ P2RY12 Q9H244 4/20 0.40
▸ CDK2 P24941 3/20 0.40
▸ P2RY1 P47900 3/20 0.40
▸ P2RY6 Q15077 2/20 0.40
▸ ADORA2A P29274 1/20 0.39
▸ MEN1 O00255 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
SCHEMBL6390809 0.84 P2RY4 (0.46) GNG2GNB1MAPTMAPK1SMN1; SMN2
SCHEMBL29240057 0.80 P2RY4 (0.64) GNG2GNB1MAPTMAPK1SMN1; SMN2
SCHEMBL30977231 0.80 P2RY4 (0.64) GNG2GNB1MAPTMAPK1SMN1; SMN2
SCHEMBL2421375 0.79 MEN1 (0.54) MAPTMAPK1SMN1; SMN2TDP1L3MBTL1
SCHEMBL13741872 0.77 MAPK1 (0.51) GNG2GNB1MAPTMAPK1SMN1; SMN2
SCHEMBL92468 0.77 CYP1A1 (0.62) GNG2GNB1MAPTMAPK1SMN1; SMN2
SCHEMBL14516420 0.76 MAPT (0.50) GNG2GNB1MAPTMAPK1SMN1; SMN2
SCHEMBL27516756 0.74 P2RY4 (0.49) GNG2GNB1MAPTMAPK1SMN1; SMN2
SCHEMBL24894584 0.73 P2RY4 (0.54) GNG2GNB1MAPTMAPK1SMN1; SMN2
SCHEMBL6384455 0.73 P2RY2 (0.45) GNG2GNB1MAPTMAPK1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118255727-A Compound containing anthraquinone ring parent nucleus, preparation method and application thereof 杭州市第一人民医院 2024-06-28 — — CN claimed
CN-118255727-A Compound containing anthraquinone ring parent nucleus, preparation method and application thereof 杭州市第一人民医院 2024-06-28 — — CN disclosed
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