SCHEMBL30205165

SCHEMBL30205165

O=[N+]([O-])c1cc(S(=O)(=O)NCc2ccccn2)ccc1N1CCN(c2ncccn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.58
ALDH1A1 P00352 3/20 0.55
MAPK1 P28482 1/20 0.55
LMNA P02545 6/20 0.51
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TP53 P04637 1/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PKM P14618 1/20 0.50
PTPN11 Q06124 1/20 0.49
POLB P06746 1/20 0.49
PRMT1 Q99873 1/20 0.48
GAA P10253 2/20 0.47

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
SCHEMBL28954772 1.00 L3MBTL1 (0.58) L3MBTL1ALDH1A1MAPK1LMNAMAPT
SCHEMBL30205273 0.89 L3MBTL1 (0.59) L3MBTL1ALDH1A1MAPK1LMNAMAPT
SCHEMBL28954901 0.89 L3MBTL1 (0.59) L3MBTL1ALDH1A1MAPK1LMNAMAPT
SCHEMBL28954804 0.88 L3MBTL1 (0.53) L3MBTL1ALDH1A1MAPK1LMNAMAPT
SCHEMBL30205327 0.88 L3MBTL1 (0.53) L3MBTL1ALDH1A1MAPK1LMNAMAPT
SCHEMBL28954798 0.85 L3MBTL1 (0.51) L3MBTL1ALDH1A1MAPK1LMNAMAPT
SCHEMBL30205182 0.85 L3MBTL1 (0.56) L3MBTL1ALDH1A1MAPK1LMNAMAPT
SCHEMBL28954836 0.85 L3MBTL1 (0.56) L3MBTL1ALDH1A1MAPK1LMNAMAPT
SCHEMBL28954884 0.84 MYD88 (0.62) L3MBTL1ALDH1A1MAPK1LMNAMAPT
SCHEMBL30205256 0.84 MYD88 (0.62) L3MBTL1ALDH1A1MAPK1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115710251-B Medullary differentiation factor 88 inhibitor and preparation method and application thereof 杭州医学院 2024-05-28 CN claimed
CN-115710251-A Myeloid differentiation factor 88 inhibitor and preparation method and application thereof 杭州医学院 2023-02-24 CN claimed
CN-115710251-B Medullary differentiation factor 88 inhibitor and preparation method and application thereof 杭州医学院 2024-05-28 CN disclosed
CN-115710251-A Myeloid differentiation factor 88 inhibitor and preparation method and application thereof 杭州医学院 2023-02-24 CN disclosed