SCHEMBL28954867

SCHEMBL28954867

O=[N+]([O-])c1cccc(CN2CCN(c3ccc(S(=O)(=O)Nc4ccccc4)cc3[N+](=O)[O-])CC2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYD88 Q99836 1/20 0.73
LMNA P02545 7/20 0.67
MEN1 O00255 6/20 0.67
KMT2A Q03164 6/20 0.67
MAPT P10636 4/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
TP53 P04637 1/20 0.67
HTT P42858 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
PKM P14618 1/20 0.66
ALDH1A1 P00352 5/20 0.61
GAA P10253 2/20 0.61
GFER P55789 1/20 0.52
HTR6 P50406 1/20 0.51
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
KDM4E B2RXH2 1/20 0.49
AR P10275 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
SCHEMBL30205143 1.00 MYD88 (0.73) MYD88LMNAMEN1KMT2AMAPT
SCHEMBL30205166 0.90 LMNA (0.69) MYD88LMNAMEN1KMT2AMAPT
SCHEMBL28954850 0.90 LMNA (0.69) MYD88LMNAMEN1KMT2AMAPT
SCHEMBL28954819 0.85 MYD88 (0.59) MYD88LMNAMEN1KMT2AMAPT
SCHEMBL28954767 0.85 MYD88 (1.00) MYD88LMNAMEN1KMT2AMAPT
SCHEMBL3620493 0.83 LMNA (0.78) MYD88LMNAMEN1KMT2AMAPT
SCHEMBL28954884 0.82 MYD88 (0.62) MYD88LMNAMEN1KMT2AMAPT
SCHEMBL30205352 0.81 LMNA (0.75) MYD88LMNAMEN1KMT2AMAPT
SCHEMBL30205505 0.81 LMNA (0.87) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL28954774 0.81 LMNA (0.87) LMNAMEN1KMT2AMAPTSMN1; SMN2

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