SCHEMBL29276339

SCHEMBL29276339

COc1ccc(-c2ccnc(NC(=O)CCCc3ccccc3)c2)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.54
▸ NPC1 O15118 7/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ POLB P06746 3/20 0.50
▸ ALDH1A1 P00352 5/20 0.48
▸ GAA P10253 1/20 0.48
▸ RIOK2 Q9BVS4 1/20 0.47
▸ PKM P14618 1/20 0.46
▸ MAPK8 P45983 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ BUB1 O43683 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
SCHEMBL29276334 0.89 ALDH1A1 (0.55) RAB9ASMN1; SMN2ALDH1A1RIOK2PKM
SCHEMBL29276354 0.86 KMT2A (0.52) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL29276306 0.86 GSK3B (0.56) RAB9ASMN1; SMN2ALDH1A1RIOK2PKM
SCHEMBL30637674 0.85 GSK3B (0.52) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL29276343 0.85 GSK3B (0.52) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL29276313 0.85 KMT2A (0.46) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL29276322 0.84 GSK3B (0.48) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL29276340 0.83 GSK3B (0.48) RAB9ASMN1; SMN2ALDH1A1GAARIOK2
SCHEMBL29276341 0.82 GSK3B (0.45) RAB9ANPC1SMN1; SMN2POLBALDH1A1
SCHEMBL29276352 0.82 MAPT (0.61) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A

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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