SCHEMBL28990134

SCHEMBL28990134

CC(=O)N(C(C)=O)c1ccc(-c2cccc(N)c2)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.45
▸ GAA P10253 2/20 0.43
▸ MAOA P21397 1/20 0.43
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CYP17A1 P05093 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP19A1 P11511 2/20 0.41
▸ CYP11B1 P15538 2/20 0.41
▸ CYP11B2 P19099 2/20 0.41
▸ MAP4K4 O95819 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ PSIP1 O75475 1/20 0.37

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
SCHEMBL3786855 0.78 MAOA (0.50) MCL1GAAMAOACA12CA1
SCHEMBL6538668 0.76 MCL1 (0.39) MCL1MAOACA12CA1CA2
SCHEMBL3794232 0.76 MCL1 (0.53) MCL1MAOACA12CA1CA2
SCHEMBL3781881 0.72 MCL1 (0.57) MCL1MAOACA12CA1CA2
SCHEMBL3785758 0.72 CFD (0.49) MCL1GAAMAOACA12CA1
SCHEMBL3785433 0.71 MAPT (0.62) MCL1MAOACA12CA1CA2
SCHEMBL29263933 0.71 GAA (0.38) MCL1GAACYP3A4ALDH1A1MAPT
SCHEMBL7919787 0.71 CRHBP (0.51) GAACA12CA1CA2CA9
SCHEMBL3784526 0.70 IKBKB (0.54) MCL1MAOACA12CA1CA2
SCHEMBL11132569 0.70 GAA (0.57) GAACYP3A4ALDH1A1MAPTKDM4E

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-113668090-B Polyacetylaminoimide fiber and preparation spinning method thereof 江西师范大学 2023-04-25 — — CN disclosed
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