SCHEMBL30637594

SCHEMBL30637594

COc1ccc(-c2ccnc(NC(=O)Cc3cccc(F)c3)c2)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RIOK2 Q9BVS4 3/20 0.48
▸ MAPK10 P53779 2/20 0.48
▸ GSK3A P49840 1/20 0.48
▸ DGAT2 Q96PD7 1/20 0.47
▸ ROCK1 Q13464 6/20 0.47
▸ CYP3A4 P08684 5/20 0.47
▸ PRKACA P17612 3/20 0.47
▸ ROCK2 O75116 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ WNT3A P56704 4/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ ANO1 Q5XXA6 1/20 0.45
▸ GSK3B P49841 1/20 0.45
▸ PKM P14618 1/20 0.43
▸ POLB P06746 1/20 0.43

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
SCHEMBL29276337 1.00 RIOK2 (0.48) RIOK2MAPK10GSK3ADGAT2ROCK1
SCHEMBL29276320 0.92 RIOK2 (0.48) RIOK2MAPK10GSK3AROCK1CYP3A4
SCHEMBL29276343 0.91 GSK3B (0.52) RIOK2GSK3ADGAT2ALDH1A1SMN1; SMN2
SCHEMBL30637674 0.91 GSK3B (0.52) RIOK2GSK3ADGAT2ALDH1A1SMN1; SMN2
SCHEMBL29276307 0.90 MAPK10 (0.53) RIOK2MAPK10GSK3AL3MBTL1ALDH1A1
SCHEMBL30637655 0.89 RIOK2 (0.50) RIOK2MAPK10GSK3AROCK1CYP3A4
SCHEMBL29276317 0.89 RIOK2 (0.50) RIOK2MAPK10GSK3AROCK1CYP3A4
SCHEMBL29276326 0.86 ANO1 (0.48) RIOK2MAPK10GSK3AROCK1PRKACA
SCHEMBL30637625 0.86 ANO1 (0.48) RIOK2MAPK10GSK3AROCK1PRKACA
SCHEMBL29276302 0.86 GSK3B (0.43) RIOK2MAPK10GSK3ADGAT2L3MBTL1

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-117143097-A Beta-carbopol compound, preparation method thereof and application of beta-carbopol compound in resisting Alzheimer disease 中国人民解放军北部战区总医院 2023-12-01 — — CN disclosed
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