SCHEMBL19204112

SCHEMBL19204112

CS(=O)(=O)c1ccc(NC2CCN(C3CCOCC3)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
WNK1 Q9H4A3 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH3A1 P30838 2/20 0.44
LMNA P02545 6/20 0.44
L3MBTL1 Q9Y468 5/20 0.44
MAPT P10636 5/20 0.44
MAPK1 P28482 5/20 0.44
TDP1 Q9NUW8 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
HCAR3 P49019 3/20 0.44
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
GPR55 Q9Y2T6 1/20 0.42
GAA P10253 2/20 0.42

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
SCHEMBL19203949 0.93 WNK1 (0.50) WNK1MEN1KMT2AALDH3A1LMNA
SCHEMBL19204111 0.91 WNK1 (0.48) WNK1MEN1KMT2AALDH3A1LMNA
SCHEMBL1699924 0.89 WNK1 (0.51) WNK1MEN1KMT2AALDH3A1LMNA
SCHEMBL1700167 0.83 WNK1 (0.47) WNK1KMT2ALMNAL3MBTL1MAPT
SCHEMBL1700375 0.83 WNK1 (0.47) WNK1KMT2ALMNAL3MBTL1MAPT
SCHEMBL1700178 0.83 WNK1 (0.47) WNK1KMT2ALMNAL3MBTL1MAPT
SCHEMBL2480893 0.82 WNK1 (0.52) WNK1MEN1KMT2AALDH3A1LMNA
SCHEMBL1699907 0.82 WNK1 (0.50) WNK1MEN1KMT2ALMNAL3MBTL1
SCHEMBL30921518 0.82 WNK1 (0.50) WNK1MEN1KMT2ALMNAL3MBTL1
SCHEMBL1699910 0.82 WNK1 (0.50) WNK1MEN1KMT2ALMNAL3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017132474-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2017-08-03 WO disclosed