SCHEMBL29276334

SCHEMBL29276334

COc1ccc(CCC(=O)Nc2cc(-c3ccc(OC)cc3[N+](=O)[O-])ccn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ HPGD P15428 1/20 0.55
▸ GSK3B P49841 3/20 0.51
▸ MAPK14 Q16539 2/20 0.51
▸ MAPT P10636 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ TSHR P16473 1/20 0.48
▸ MAPK10 P53779 2/20 0.47
▸ NR3C2 P08235 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ALPL P05186 1/20 0.47
▸ RIOK2 Q9BVS4 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ PKM P14618 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ GSK3A P49840 1/20 0.43

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
SCHEMBL29276354 0.95 KMT2A (0.52) ALDH1A1KMT2AHPGDGSK3BMAPK14
SCHEMBL29276306 0.94 GSK3B (0.56) ALDH1A1KMT2AHPGDGSK3BMAPK14
SCHEMBL29276340 0.92 GSK3B (0.48) ALDH1A1KMT2AHPGDGSK3BMAPK14
SCHEMBL29276314 0.91 GSK3B (0.47) ALDH1A1KMT2AHPGDGSK3BMAPK14
SCHEMBL30637664 0.91 GSK3B (0.47) ALDH1A1KMT2AHPGDGSK3BMAPK14
SCHEMBL29276322 0.91 GSK3B (0.48) ALDH1A1KMT2AHPGDGSK3BMAPK14
SCHEMBL29276339 0.89 RAB9A (0.54) ALDH1A1KMT2AHPGDMAPTMEN1
SCHEMBL30637674 0.89 GSK3B (0.52) ALDH1A1KMT2AHPGDGSK3BMAPK14
SCHEMBL29276343 0.89 GSK3B (0.52) ALDH1A1KMT2AHPGDGSK3BMAPK14
SCHEMBL29276313 0.86 KMT2A (0.46) ALDH1A1KMT2AHPGDGSK3BMAPK14

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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