SCHEMBL30205273

SCHEMBL30205273

O=[N+]([O-])c1ccc(N2CCN(c3ccc(S(=O)(=O)NCc4ccccn4)cc3[N+](=O)[O-])CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.59
LMNA P02545 10/20 0.55
MAPT P10636 9/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
HTT P42858 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
TP53 P04637 1/20 0.55
ALDH1A1 P00352 5/20 0.53
GAA P10253 2/20 0.53
MAPK1 P28482 3/20 0.52
METAP1 P53582 1/20 0.48
RECQL P46063 1/20 0.48
PKM P14618 1/20 0.47
PTPN11 Q06124 1/20 0.47
POLB P06746 1/20 0.46
HSP90AA1 P07900 1/20 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
SCHEMBL28954901 1.00 L3MBTL1 (0.59) L3MBTL1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL28954836 0.89 L3MBTL1 (0.56) L3MBTL1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL30205182 0.89 L3MBTL1 (0.56) L3MBTL1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL28954772 0.89 L3MBTL1 (0.58) L3MBTL1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL30205165 0.89 L3MBTL1 (0.58) L3MBTL1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL30205327 0.84 L3MBTL1 (0.53) L3MBTL1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL28954804 0.84 L3MBTL1 (0.53) L3MBTL1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL30205256 0.84 MYD88 (0.62) L3MBTL1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL28954884 0.84 MYD88 (0.62) L3MBTL1LMNAMAPTSMN1; SMN2MEN1
SCHEMBL28954798 0.82 L3MBTL1 (0.51) L3MBTL1LMNAMAPTSMN1; SMN2MEN1

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