SCHEMBL29276354

SCHEMBL29276354

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ HPGD P15428 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ MAPT P10636 3/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ MAPK10 P53779 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MAPK14 Q16539 2/20 0.47
▸ GSK3B P49841 1/20 0.47
▸ POLB P06746 2/20 0.44
▸ RIOK2 Q9BVS4 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ NR3C2 P08235 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ ALPL P05186 1/20 0.42

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 0.95 ALDH1A1 (0.55) KMT2AALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL29276306 0.92 GSK3B (0.56) KMT2AALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL29276340 0.90 GSK3B (0.48) KMT2AALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL30637664 0.89 GSK3B (0.47) KMT2AALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL29276314 0.89 GSK3B (0.47) KMT2AALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL29276322 0.88 GSK3B (0.48) KMT2AALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL29276339 0.86 RAB9A (0.54) KMT2AALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL29276343 0.86 GSK3B (0.52) KMT2AALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL30637674 0.86 GSK3B (0.52) KMT2AALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL29276313 0.84 KMT2A (0.46) KMT2AALDH1A1HPGDSMN1; SMN2RAB9A

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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