SCHEMBL29276307

SCHEMBL29276307

COc1ccc(-c2ccnc(NC(=O)Cc3ccc(F)cc3)c2)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ RIOK2 Q9BVS4 3/20 0.53
▸ MAPK1 P28482 1/20 0.52
▸ POLB P06746 1/20 0.49
▸ GSK3A P49840 1/20 0.48
▸ MAPK14 Q16539 8/20 0.47
▸ CSNK1D P48730 1/20 0.47
▸ GSK3B P49841 2/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ WNT3A P56704 3/20 0.46

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
SCHEMBL29276320 0.93 RIOK2 (0.48) MAPK10ALDH1A1SMN1; SMN2L3MBTL1RIOK2
SCHEMBL29276317 0.91 RIOK2 (0.50) MAPK10ALDH1A1SMN1; SMN2L3MBTL1RIOK2
SCHEMBL30637655 0.91 RIOK2 (0.50) MAPK10ALDH1A1SMN1; SMN2L3MBTL1RIOK2
SCHEMBL29276306 0.91 GSK3B (0.56) MAPK10ALDH1A1SMN1; SMN2L3MBTL1RIOK2
SCHEMBL30637594 0.90 RIOK2 (0.48) MAPK10ALDH1A1SMN1; SMN2L3MBTL1RIOK2
SCHEMBL29276337 0.90 RIOK2 (0.48) MAPK10ALDH1A1SMN1; SMN2L3MBTL1RIOK2
SCHEMBL29276302 0.88 GSK3B (0.43) MAPK10ALDH1A1SMN1; SMN2L3MBTL1RIOK2
SCHEMBL29276319 0.86 MAPK14 (0.52) ALDH1A1SMN1; SMN2MAPK1POLBMAPK14
SCHEMBL29276322 0.85 GSK3B (0.48) MAPK10ALDH1A1SMN1; SMN2L3MBTL1RIOK2
SCHEMBL29276316 0.85 MEN1 (0.48) MAPK10ALDH1A1SMN1; SMN2L3MBTL1RIOK2

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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