SCHEMBL29276316

SCHEMBL29276316

COc1ccc(-c2ccnc(NC(=O)Cc3ccccc3F)c2)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ RAB9A P51151 3/20 0.47
▸ RIOK2 Q9BVS4 2/20 0.47
▸ DGAT2 Q96PD7 1/20 0.47
▸ GSK3B P49841 1/20 0.45
▸ MAPK10 P53779 2/20 0.45
▸ GSK3A P49840 1/20 0.45
▸ ANO1 Q5XXA6 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ PTPN1 P18031 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ELOVL1 Q9BW60 1/20 0.42
▸ RORA P35398 1/20 0.42

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
SCHEMBL29276313 0.92 KMT2A (0.46) MEN1KMT2ARAB9ARIOK2DGAT2
SCHEMBL29276302 0.90 GSK3B (0.43) MEN1KMT2ARAB9ARIOK2DGAT2
SCHEMBL30637655 0.86 RIOK2 (0.50) MEN1KMT2ARIOK2GSK3BMAPK10
SCHEMBL29276317 0.86 RIOK2 (0.50) MEN1KMT2ARIOK2GSK3BMAPK10
SCHEMBL29276320 0.85 RIOK2 (0.48) MEN1KMT2ARAB9ARIOK2GSK3B
SCHEMBL29276307 0.85 MAPK10 (0.53) KMT2ARIOK2GSK3BMAPK10GSK3A
SCHEMBL29276337 0.85 RIOK2 (0.48) RIOK2DGAT2GSK3BMAPK10GSK3A
SCHEMBL30637594 0.85 RIOK2 (0.48) RIOK2DGAT2GSK3BMAPK10GSK3A
SCHEMBL29276341 0.82 GSK3B (0.45) MEN1KMT2ARAB9ADGAT2GSK3B
SCHEMBL29276352 0.80 MAPT (0.61) MEN1KMT2ARAB9ASMN1; SMN2NPC1

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
Send feedback