SCHEMBL29276340

SCHEMBL29276340

COc1ccc(-c2ccnc(NC(=O)CCc3ccc(C(F)(F)F)cc3)c2)c([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.48
▸ MAPK14 Q16539 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TP53 P04637 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NR3C2 P08235 2/20 0.43
▸ TSHR P16473 1/20 0.41
▸ RIOK2 Q9BVS4 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ DGAT2 Q96PD7 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.40

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
SCHEMBL29276334 0.92 ALDH1A1 (0.55) GSK3BMAPK14ALDH1A1KMT2AHPGD
SCHEMBL29276306 0.91 GSK3B (0.56) GSK3BMAPK14ALDH1A1KMT2AHPGD
SCHEMBL29276354 0.90 KMT2A (0.52) GSK3BMAPK14ALDH1A1KMT2AHPGD
SCHEMBL30637664 0.87 GSK3B (0.47) GSK3BMAPK14ALDH1A1KMT2AHPGD
SCHEMBL29276314 0.87 GSK3B (0.47) GSK3BMAPK14ALDH1A1KMT2AHPGD
SCHEMBL29276322 0.87 GSK3B (0.48) GSK3BMAPK14ALDH1A1KMT2AHPGD
SCHEMBL30637674 0.85 GSK3B (0.52) GSK3BMAPK14ALDH1A1KMT2AHPGD
SCHEMBL29276343 0.85 GSK3B (0.52) GSK3BMAPK14ALDH1A1KMT2AHPGD
SCHEMBL29276339 0.83 RAB9A (0.54) ALDH1A1KMT2AHPGDGAAMAPT
SCHEMBL29276313 0.83 KMT2A (0.46) GSK3BMAPK14ALDH1A1KMT2AHPGD

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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