SCHEMBL29276343

SCHEMBL29276343

COc1ccc(-c2ccnc(NC(=O)CCc3cccc(F)c3)c2)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 5/20 0.52
▸ MAPK14 Q16539 5/20 0.52
▸ NR3C2 P08235 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RAB9A P51151 3/20 0.42
▸ PKM P14618 1/20 0.42
▸ RIOK2 Q9BVS4 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ DGAT2 Q96PD7 1/20 0.40
▸ GSK3A P49840 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MEN1 O00255 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
SCHEMBL30637674 1.00 GSK3B (0.52) GSK3BMAPK14NR3C2ALDH1A1KMT2A
SCHEMBL29276322 0.92 GSK3B (0.48) GSK3BMAPK14ALDH1A1KMT2AHPGD
SCHEMBL30637594 0.91 RIOK2 (0.48) GSK3BALDH1A1PKMRIOK2SMN1; SMN2
SCHEMBL29276337 0.91 RIOK2 (0.48) GSK3BALDH1A1PKMRIOK2SMN1; SMN2
SCHEMBL29276306 0.91 GSK3B (0.56) GSK3BMAPK14NR3C2ALDH1A1KMT2A
SCHEMBL30637664 0.89 GSK3B (0.47) GSK3BMAPK14NR3C2ALDH1A1KMT2A
SCHEMBL29276314 0.89 GSK3B (0.47) GSK3BMAPK14NR3C2ALDH1A1KMT2A
SCHEMBL29276334 0.89 ALDH1A1 (0.55) GSK3BMAPK14NR3C2ALDH1A1KMT2A
SCHEMBL29276341 0.87 GSK3B (0.45) GSK3BMAPK14NR3C2ALDH1A1KMT2A
SCHEMBL29276354 0.86 KMT2A (0.52) GSK3BMAPK14NR3C2ALDH1A1KMT2A

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