SCHEMBL28954834

SCHEMBL28954834

COc1ccc(NS(=O)(=O)c2cccc(N3CCN(Cc4ccccc4)CC3)c2[N+](=O)[O-])cn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYD88 Q99836 1/20 0.64
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SLC22A12 Q96S37 1/20 0.45
ALDH1A1 P00352 5/20 0.43
HTT P42858 3/20 0.43
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
PKM P14618 2/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 2/20 0.41
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
DRD4 P21917 2/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL30205153 0.83 MYD88 (0.86) MYD88MEN1KMT2AALDH1A1HTT
SCHEMBL28954886 0.80 MYD88 (0.60) MYD88MEN1KMT2ASLC22A12ALDH1A1
SCHEMBL28954767 0.78 MYD88 (1.00) MYD88MEN1KMT2AALDH1A1HTT
SCHEMBL30205183 0.76 MYD88 (0.80) MYD88MEN1KMT2AALDH1A1HTT
SCHEMBL28954891 0.76 MYD88 (0.85) MYD88MEN1KMT2AALDH1A1HTT
SCHEMBL30585260 0.73 TSHR (0.53) MYD88MEN1KMT2ASLC22A12ALDH1A1
SCHEMBL15544374 0.73 MEN1 (0.62) MYD88MEN1KMT2ASLC22A12ALDH1A1
SCHEMBL29078406 0.72 MYD88 (0.68) MYD88MEN1KMT2AALDH1A1HTT
SCHEMBL29078361 0.71 MYD88 (0.55) MYD88MEN1KMT2AALDH1A1HTT
SCHEMBL20804834 0.68 DRD4 (0.56) ALDH1A1HTTLMNAL3MBTL1TSHR

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 2 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 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