SCHEMBL28954891

SCHEMBL28954891

COc1ccc(NS(=O)(=O)c2ccc(N3CCN(Cc4ccc([N+](=O)[O-])cc4)CC3)c([N+](=O)[O-])c2)cn1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYD88 Q99836 1/20 0.85
LMNA P02545 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
PKM P14618 1/20 0.49
MEN1 O00255 8/20 0.47
KMT2A Q03164 8/20 0.47
MAPT P10636 7/20 0.47
HTT P42858 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
TP53 P04637 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 5/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
PABPC1 P11940 1/20 0.46
GAA P10253 2/20 0.46
HTR6 P50406 1/20 0.44

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
SCHEMBL30205183 0.93 MYD88 (0.80) MYD88LMNASMN1; SMN2PKMMEN1
SCHEMBL30205153 0.93 MYD88 (0.86) MYD88LMNASMN1; SMN2PKMMEN1
SCHEMBL28954767 0.92 MYD88 (1.00) MYD88LMNASMN1; SMN2PKMMEN1
SCHEMBL28954835 0.86 MYD88 (0.73) MYD88LMNASMN1; SMN2PKMMEN1
SCHEMBL28954865 0.86 MYD88 (0.73) MYD88LMNASMN1; SMN2PKMMEN1
SCHEMBL30205170 0.86 MYD88 (0.73) MYD88LMNASMN1; SMN2PKMMEN1
SCHEMBL30205169 0.86 MYD88 (0.73) MYD88LMNASMN1; SMN2PKMMEN1
SCHEMBL28954776 0.83 MYD88 (0.71) MYD88LMNASMN1; SMN2PKMMEN1
SCHEMBL28954850 0.82 LMNA (0.69) MYD88LMNASMN1; SMN2PKMMEN1
SCHEMBL30205166 0.82 LMNA (0.69) MYD88LMNASMN1; SMN2PKMMEN1

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