SCHEMBL30205166

SCHEMBL30205166

O=[N+]([O-])c1ccc(CN2CCN(c3ccc(S(=O)(=O)Nc4ccccc4)cc3[N+](=O)[O-])CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.69
MEN1 O00255 7/20 0.69
KMT2A Q03164 7/20 0.69
MAPT P10636 6/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
HTT P42858 2/20 0.69
TDP1 Q9NUW8 2/20 0.69
TP53 P04637 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
PKM P14618 1/20 0.68
ALDH1A1 P00352 6/20 0.63
GAA P10253 1/20 0.63
MYD88 Q99836 1/20 0.61
CA12 O43570 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
CYP3A4 P08684 4/20 0.51
CYP2C9 P11712 4/20 0.51
CYP2C19 P33261 4/20 0.51
CTDSP1 Q9GZU7 1/20 0.48

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
SCHEMBL28954850 1.00 LMNA (0.69) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL30205143 0.90 MYD88 (0.73) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL28954867 0.90 MYD88 (0.73) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL28954774 0.87 LMNA (0.87) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL30205505 0.87 LMNA (0.87) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3620493 0.85 LMNA (0.78) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL30205352 0.83 LMNA (0.75) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL28954891 0.82 MYD88 (0.85) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL30205182 0.81 L3MBTL1 (0.56) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL30205135 0.80 LMNA (0.74) 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