SCHEMBL28310754

SCHEMBL28310754

COC(=O)CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.62
PKM P14618 4/20 0.62
POLB P06746 3/20 0.62
SMN1; SMN2 Q16637 1/20 0.58
GAA P10253 6/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 2/20 0.53
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 3/20 0.52
CA12 O43570 3/20 0.51
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA9 Q16790 3/20 0.51
HTT P42858 1/20 0.49
CA14 Q9ULX7 2/20 0.49
DOT1L Q8TEK3 1/20 0.49

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
SCHEMBL28252821 0.89 LMNA (0.67) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL31327395 0.88 ALDH1A1 (0.56) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL29130781 0.88 MAPT (0.66) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL16449995 0.81 LMNA (0.60) MAPTPKMPOLBSMN1; SMN2KMT2A
SCHEMBL2421954 0.81 MAPT (0.60) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL7169113 0.81 ALDH1A1 (0.50) MAPTPOLBSMN1; SMN2GAAKMT2A
SCHEMBL30468041 0.81 MAPT (0.70) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL1700307 0.81 MAPT (0.70) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL3841711 0.80 LMNA (0.55) MAPTPKMKMT2AALDH1A1TDP1
SCHEMBL22278705 0.80 LMNA (0.55) MAPTPKMKMT2AALDH1A1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110054625-A The bis- target spot inhibitor of N- acyl group benzsulfamide hydroxamic acid Bcl-2, HDAC and preparation method and application 山东大学 2019-07-26 CN claimed
CN-110054625-B N-acylbenzenesulfonamide hydroxamic acid Bcl-2 and HDAC double-target inhibitor, and preparation method and application thereof 山东大学 2022-01-07 CN disclosed
CN-110054625-A The bis- target spot inhibitor of N- acyl group benzsulfamide hydroxamic acid Bcl-2, HDAC and preparation method and application 山东大学 2019-07-26 CN disclosed