SCHEMBL29211700

SCHEMBL29211700

CC(C)C(OC(N)=O)C(=O)NC(CCCNC(N)=O)C(=O)Nc1ccc(CN)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 7/20 0.38
▸ SIRT2 Q8IXJ6 7/20 0.38
▸ SIRT3 Q9NTG7 4/20 0.38
▸ FURIN P09958 3/20 0.38
▸ KLK7 P49862 2/20 0.37
▸ CASP3 P42574 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ SIRT5 Q9NXA8 1/20 0.37
▸ CASP7 P55210 1/20 0.36
▸ CASP9 P55211 1/20 0.36
▸ CASP6 P55212 1/20 0.36
▸ CASP8 Q14790 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL29211699 1.00 SIRT1 (0.38) SIRT1SIRT2SIRT3FURINKLK7
SCHEMBL28974938 0.92 KLK7 (0.39) SIRT1SIRT2SIRT3FURINKLK7
SCHEMBL28425032 0.92 KLK7 (0.37) SIRT1SIRT2SIRT3FURINKLK7
SCHEMBL28974940 0.92 KLK7 (0.39) SIRT1SIRT2SIRT3FURINKLK7
SCHEMBL28425028 0.92 KLK7 (0.37) SIRT1SIRT2SIRT3FURINKLK7
SCHEMBL28681266 0.91 FURIN (0.37) SIRT1SIRT2SIRT3FURINKLK7
SCHEMBL29211789 0.91 SIRT2 (0.48) SIRT1SIRT2SIRT3FURINCASP3
SCHEMBL29211793 0.91 SIRT2 (0.48) SIRT1SIRT2SIRT3FURINCASP3
SCHEMBL28631982 0.87 SIRT5 (0.44) SIRT1SIRT2SIRT3SIRT5
SCHEMBL28444425 0.87 SIRT5 (0.38) SIRT1SIRT2SIRT3FURINKLK7

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-117801107-A Benzazepine derivatives, conjugates containing same and application thereof 上海迪诺医药科技有限公司 2024-04-02 — — CN disclosed
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