SCHEMBL20767652

SCHEMBL20767652

NC(=O)c1ccccc1S(=O)(=O)c1ccc(NCCN2CCC3CNC(=O)N3CC2)c([N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 5/20 0.38
PKM P14618 3/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.35
SLC2A1 P11166 1/20 0.35

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
SCHEMBL1957094 0.79 KDM4E (0.55) KDM4EKMT2APKMSMN1; SMN2GAA
SCHEMBL1960127 0.77 KDM4E (0.67) KDM4EL3MBTL1KMT2APKMALDH1A1
SCHEMBL1960223 0.77 KDM4E (0.47) KDM4EKMT2APKMSMN1; SMN2GAA
SCHEMBL2408475 0.73 MAPT (0.52) L3MBTL1KMT2APKMALDH1A1SMN1; SMN2
SCHEMBL1957524 0.72 MAPT (0.47) KDM4EL3MBTL1KMT2APKMALDH1A1
SCHEMBL1958960 0.72 ALDH3A1 (0.48) KMT2APKMMAPTMEN1
SCHEMBL28238037 0.71 KDM4E (0.49) KDM4EL3MBTL1KMT2APKMALDH1A1
SCHEMBL27202085 0.71 BCL2L1 (0.59) KMT2AMEN1
SCHEMBL30634506 0.71 ABCC9 (0.39) KDM4EL3MBTL1KMT2APKMALDH1A1
SCHEMBL29750920 0.70 MAPT (0.45) L3MBTL1KMT2APKMALDH1A1SMN1; SMN2

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
EP-3672976-A1 BCL-2 INHIBITORS Newave Pharmaceutical Inc. (US) 2020-07-01 EP disclosed
WO-2019040573-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2019-02-28 WO disclosed