SCHEMBL29276302

SCHEMBL29276302

COc1ccc(-c2ccnc(NC(=O)Cc3ccc(F)cc3F)c2)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.43
▸ RIOK2 Q9BVS4 3/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ MAPK10 P53779 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ DGAT2 Q96PD7 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ NTRK1 P04629 2/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ NR3C2 P08235 1/20 0.41
▸ RAB9A P51151 4/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GSK3A P49840 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ CDK1 P06493 2/20 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
SCHEMBL29276341 0.92 GSK3B (0.45) GSK3BSMN1; SMN2ALDH1A1DGAT2NR3C2
SCHEMBL29276316 0.90 MEN1 (0.48) GSK3BRIOK2SMN1; SMN2MAPK10ALDH1A1
SCHEMBL29276307 0.88 MAPK10 (0.53) GSK3BRIOK2SMN1; SMN2MAPK10ALDH1A1
SCHEMBL29276320 0.86 RIOK2 (0.48) GSK3BRIOK2SMN1; SMN2MAPK10ALDH1A1
SCHEMBL30637594 0.86 RIOK2 (0.48) GSK3BRIOK2SMN1; SMN2MAPK10ALDH1A1
SCHEMBL29276337 0.86 RIOK2 (0.48) GSK3BRIOK2SMN1; SMN2MAPK10ALDH1A1
SCHEMBL30637655 0.85 RIOK2 (0.50) GSK3BRIOK2SMN1; SMN2MAPK10ALDH1A1
SCHEMBL29276317 0.85 RIOK2 (0.50) GSK3BRIOK2SMN1; SMN2MAPK10ALDH1A1
SCHEMBL29276306 0.83 GSK3B (0.56) GSK3BRIOK2SMN1; SMN2MAPK10ALDH1A1
SCHEMBL29276319 0.82 MAPK14 (0.52) SMN1; SMN2ALDH1A1MAPK1RAB9ANPC1

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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