SCHEMBL29276322

SCHEMBL29276322

COc1ccc(-c2ccnc(NC(=O)CCc3cc(F)cc(F)c3)c2)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 5/20 0.48
▸ MAPK14 Q16539 4/20 0.48
▸ KMT2A Q03164 4/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ HPGD P15428 1/20 0.45
▸ GSK3A P49840 1/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ PKM P14618 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MAPT P10636 3/20 0.41
▸ RIOK2 Q9BVS4 2/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ TSHR P16473 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
SCHEMBL29276306 0.93 GSK3B (0.56) GSK3BMAPK14KMT2AALDH1A1HPGD
SCHEMBL29276343 0.92 GSK3B (0.52) GSK3BMAPK14KMT2AALDH1A1HPGD
SCHEMBL30637674 0.92 GSK3B (0.52) GSK3BMAPK14KMT2AALDH1A1HPGD
SCHEMBL29276320 0.91 RIOK2 (0.48) GSK3BMAPK14KMT2AALDH1A1GSK3A
SCHEMBL29276334 0.91 ALDH1A1 (0.55) GSK3BMAPK14KMT2AALDH1A1HPGD
SCHEMBL30637664 0.90 GSK3B (0.47) GSK3BMAPK14KMT2AALDH1A1HPGD
SCHEMBL29276314 0.90 GSK3B (0.47) GSK3BMAPK14KMT2AALDH1A1HPGD
SCHEMBL29276354 0.88 KMT2A (0.52) GSK3BMAPK14KMT2AALDH1A1HPGD
SCHEMBL29276341 0.88 GSK3B (0.45) GSK3BMAPK14KMT2AALDH1A1HPGD
SCHEMBL29276340 0.87 GSK3B (0.48) GSK3BMAPK14KMT2AALDH1A1HPGD

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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