SCHEMBL29056972

SCHEMBL29056972

O=C(O)C(C(=O)Nc1ncc([N+](=O)[O-])s1)c1cccc(NC2CCOCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.47
▸ KMT2A Q03164 7/20 0.47
▸ NPC1 O15118 7/20 0.47
▸ RAB9A P51151 7/20 0.47
▸ MAPT P10636 5/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.44
▸ THRB P10828 1/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ STAT3 P40763 3/20 0.41
▸ ATG4B Q9Y4P1 6/20 0.41
▸ PKM P14618 3/20 0.41
▸ CDK2 P24941 1/20 0.40
▸ GSK3A P49840 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ HIPK4 Q8NE63 1/20 0.40

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
SCHEMBL29056969 0.79 MEN1 (0.55) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL29057097 0.79 MEN1 (0.53) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL29056918 0.78 LMNA (0.53) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL29056900 0.78 MEN1 (0.40) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL29056934 0.77 MEN1 (0.50) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL29057053 0.77 MEN1 (0.48) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL29057033 0.74 STAT3 (0.47) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL29056971 0.72 MEN1 (0.52) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL29057009 0.72 ATG4B (0.55) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL25063456 0.72 NPC1 (0.61) MEN1KMT2ANPC1RAB9AMAPT

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-116472292-A Modified proteins and protein degrading agents 上海睿跃生物科技有限公司 2023-07-21 — — CN disclosed
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