SCHEMBL30205135

SCHEMBL30205135

COCCN1CCN(c2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
PKM P14618 1/20 0.74
MAPT P10636 11/20 0.69
MEN1 O00255 8/20 0.69
KMT2A Q03164 8/20 0.69
TDP1 Q9NUW8 4/20 0.69
HTT P42858 2/20 0.69
TP53 P04637 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
ALDH1A1 P00352 5/20 0.63
GAA P10253 3/20 0.63
MYD88 Q99836 1/20 0.54
CYP3A4 P08684 3/20 0.54
CYP2C9 P11712 3/20 0.54
CYP2C19 P33261 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 2/20 0.54
CTDSP1 Q9GZU7 1/20 0.51
KDM4E B2RXH2 1/20 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
SCHEMBL30205352 0.87 LMNA (0.75) LMNASMN1; SMN2PKMMAPTMEN1
SCHEMBL3620493 0.87 LMNA (0.78) LMNASMN1; SMN2PKMMAPTMEN1
SCHEMBL30205170 0.85 MYD88 (0.73) LMNASMN1; SMN2PKMMAPTMEN1
SCHEMBL28954865 0.85 MYD88 (0.73) LMNASMN1; SMN2PKMMAPTMEN1
SCHEMBL28954838 0.83 LMNA (0.50) LMNASMN1; SMN2PKMMAPTMEN1
SCHEMBL3618636 0.82 LMNA (0.92) LMNASMN1; SMN2PKMMAPTMEN1
SCHEMBL30205143 0.81 MYD88 (0.73) LMNASMN1; SMN2PKMMAPTMEN1
SCHEMBL28954867 0.81 MYD88 (0.73) LMNASMN1; SMN2PKMMAPTMEN1
SCHEMBL28954877 0.80 TAAR1 (0.58) LMNASMN1; SMN2PKMMAPTMEN1
SCHEMBL28954850 0.80 LMNA (0.69) LMNASMN1; SMN2PKMMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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