SCHEMBL30205183

SCHEMBL30205183

COc1ccc(CN2CCN(c3ccc(S(=O)(=O)Nc4ccc(OC)nc4)cc3[N+](=O)[O-])CC2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYD88 Q99836 1/20 0.80
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
PKM P14618 2/20 0.49
MEN1 O00255 9/20 0.48
KMT2A Q03164 9/20 0.48
MAPT P10636 7/20 0.48
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 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 4/20 0.46
KDM4E B2RXH2 2/20 0.45

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
SCHEMBL28954891 0.93 MYD88 (0.85) MYD88LMNASMN1; SMN2PKMMEN1
SCHEMBL30205153 0.93 MYD88 (0.86) MYD88LMNASMN1; SMN2PKMMEN1
SCHEMBL28954767 0.89 MYD88 (1.00) MYD88LMNASMN1; SMN2PKMMEN1
SCHEMBL28954865 0.86 MYD88 (0.73) MYD88LMNASMN1; SMN2PKMMEN1
SCHEMBL30205169 0.86 MYD88 (0.73) MYD88LMNASMN1; SMN2PKMMEN1
SCHEMBL30205170 0.86 MYD88 (0.73) MYD88LMNASMN1; SMN2PKMMEN1
SCHEMBL28954835 0.86 MYD88 (0.73) MYD88LMNASMN1; SMN2PKMMEN1
SCHEMBL28954886 0.83 MYD88 (0.60) MYD88LMNASMN1; SMN2PKMMEN1
SCHEMBL28954776 0.83 MYD88 (0.71) MYD88LMNASMN1; SMN2PKMMEN1
SCHEMBL28964918 0.75 KMT2A (0.67) MYD88LMNASMN1; SMN2MEN1KMT2A

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