SCHEMBL19203949

SCHEMBL19203949

CS(=O)(=O)c1ccc(N[C@H]2CC[C@@H](N3CCOCC3)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
WNK1 Q9H4A3 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HCAR3 P49019 1/20 0.46
LMNA P02545 6/20 0.45
L3MBTL1 Q9Y468 5/20 0.45
MAPT P10636 5/20 0.45
ALDH1A1 P00352 5/20 0.45
TDP1 Q9NUW8 4/20 0.45
MAPK1 P28482 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 1/20 0.45
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH3A1 P30838 2/20 0.42
GPR55 Q9Y2T6 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.41

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
SCHEMBL19204112 0.93 WNK1 (0.51) WNK1MEN1KMT2AHCAR3LMNA
SCHEMBL1699910 0.89 WNK1 (0.50) WNK1MEN1KMT2AHCAR3LMNA
SCHEMBL30921518 0.89 WNK1 (0.50) WNK1MEN1KMT2AHCAR3LMNA
SCHEMBL1700110 0.89 WNK1 (0.50) WNK1MEN1KMT2AHCAR3LMNA
SCHEMBL1699907 0.89 WNK1 (0.50) WNK1MEN1KMT2AHCAR3LMNA
SCHEMBL19204111 0.86 WNK1 (0.48) WNK1MEN1KMT2AHCAR3LMNA
SCHEMBL1699924 0.82 WNK1 (0.51) WNK1MEN1KMT2AHCAR3LMNA
SCHEMBL30112788 0.81 BCL2L1 (0.55) MEN1KMT2AHCAR3LMNAALDH3A1
SCHEMBL7184644 0.79 HCAR3 (0.56) WNK1MEN1KMT2AHCAR3LMNA
SCHEMBL7184647 0.79 HCAR3 (0.56) WNK1MEN1KMT2AHCAR3LMNA

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