SCHEMBL29276352

SCHEMBL29276352

COc1ccc(-c2ccnc(NC(=O)c3ccccc3)c2)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.61
▸ NPC1 O15118 4/20 0.61
▸ RAB9A P51151 3/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ MAPK14 Q16539 3/20 0.52
▸ CGAS Q8N884 1/20 0.49
▸ F2 P00734 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.48
▸ EGFR P00533 1/20 0.48
▸ ERBB3 P21860 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ AKR1B10 O60218 1/20 0.47
▸ AKR1B1 P15121 1/20 0.47
▸ AKR1C4 P17516 1/20 0.47
▸ AKR1C3 P42330 1/20 0.47
▸ AKR1C2 P52895 1/20 0.47
▸ AKR1C1 Q04828 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.47

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
SCHEMBL29276319 0.90 MAPK14 (0.52) MAPTNPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL28599037 0.82 ABL1 (0.52) MAPK14
SCHEMBL29276339 0.82 RAB9A (0.54) MAPTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL29276316 0.80 MEN1 (0.48) MAPTNPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL29276313 0.80 KMT2A (0.46) MAPTNPC1RAB9ASMN1; SMN2MAPK14
SCHEMBL29276334 0.79 ALDH1A1 (0.55) MAPTRAB9AMAPK1SMN1; SMN2MAPK14
SCHEMBL30362399 0.78 F2 (0.63) NPC1RAB9ASMN1; SMN2MAPK14F2
SCHEMBL14637157 0.78 F2 (0.63) NPC1RAB9ASMN1; SMN2MAPK14F2
SCHEMBL29276307 0.78 MAPK10 (0.53) MAPK1SMN1; SMN2MAPK14KMT2AALDH1A1
SCHEMBL29276320 0.78 RIOK2 (0.48) MAPTNPC1RAB9AMAPK1SMN1; SMN2

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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