SCHEMBL28954776

SCHEMBL28954776

COc1ccc(NS(=O)(=O)c2ccc(N3CCN(c4ncccn4)CC3)c([N+](=O)[O-])c2)cn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYD88 Q99836 1/20 0.71
LMNA P02545 6/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
PKM P14618 1/20 0.56
MEN1 O00255 9/20 0.54
KMT2A Q03164 9/20 0.54
MAPT P10636 9/20 0.54
TDP1 Q9NUW8 4/20 0.54
HTT P42858 4/20 0.54
TP53 P04637 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 4/20 0.51
CYP3A4 P08684 3/20 0.51
CYP2C9 P11712 3/20 0.51
CYP2C19 P33261 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
GAA P10253 2/20 0.50
ALOX15 P16050 2/20 0.49
HPGD P15428 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
SCHEMBL30205153 0.85 MYD88 (0.86) MYD88LMNASMN1; SMN2PKMMEN1
SCHEMBL30205169 0.85 MYD88 (0.73) MYD88LMNASMN1; SMN2PKMMEN1
SCHEMBL28954835 0.85 MYD88 (0.73) MYD88LMNASMN1; SMN2PKMMEN1
SCHEMBL28954865 0.85 MYD88 (0.73) MYD88LMNASMN1; SMN2PKMMEN1
SCHEMBL30205170 0.85 MYD88 (0.73) MYD88LMNASMN1; SMN2PKMMEN1
SCHEMBL28954767 0.83 MYD88 (1.00) MYD88LMNASMN1; SMN2PKMMEN1
SCHEMBL30205183 0.83 MYD88 (0.80) MYD88LMNASMN1; SMN2PKMMEN1
SCHEMBL28954891 0.83 MYD88 (0.85) MYD88LMNASMN1; SMN2PKMMEN1
SCHEMBL30205653 0.77 KMT2A (0.67) MYD88LMNASMN1; SMN2MEN1KMT2A
SCHEMBL28964918 0.77 KMT2A (0.67) MYD88LMNASMN1; SMN2MEN1KMT2A

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