SCHEMBL30205352

SCHEMBL30205352

O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1N1CCN(CCO)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
PKM P14618 1/20 0.75
MAPT P10636 9/20 0.73
MEN1 O00255 7/20 0.73
KMT2A Q03164 7/20 0.73
TDP1 Q9NUW8 3/20 0.73
HTT P42858 2/20 0.73
TP53 P04637 1/20 0.73
L3MBTL1 Q9Y468 1/20 0.73
ALDH1A1 P00352 6/20 0.70
GAA P10253 2/20 0.70
CYP3A4 P08684 3/20 0.53
CYP2C9 P11712 3/20 0.53
CYP2C19 P33261 3/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
POLB P06746 1/20 0.51
MYD88 Q99836 1/20 0.50

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
SCHEMBL3620493 0.87 LMNA (0.78) LMNASMN1; SMN2PKMMAPTMEN1
SCHEMBL30205135 0.87 LMNA (0.74) LMNASMN1; SMN2PKMMAPTMEN1
SCHEMBL28954850 0.83 LMNA (0.69) LMNASMN1; SMN2PKMMAPTMEN1
SCHEMBL30205166 0.83 LMNA (0.69) LMNASMN1; SMN2PKMMAPTMEN1
SCHEMBL28954893 0.82 ALDH1A1 (0.54) LMNASMN1; SMN2PKMMAPTMEN1
SCHEMBL3618636 0.82 LMNA (0.92) LMNASMN1; SMN2PKMMAPTMEN1
SCHEMBL30205169 0.81 MYD88 (0.73) LMNASMN1; SMN2PKMMAPTMEN1
SCHEMBL3620269 0.81 MAPT (0.77) LMNASMN1; SMN2PKMMAPTMEN1
SCHEMBL30205143 0.81 MYD88 (0.73) LMNASMN1; SMN2PKMMAPTMEN1
SCHEMBL28954867 0.81 MYD88 (0.73) 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