SCHEMBL6628215

SCHEMBL6628215

COc1ccc(N2C(=O)C(C)(c3ccc(N4CCOCC4)cc3)NC2=S)c([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
MAPT P10636 10/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 2/20 0.45
SLC6A9 P48067 2/20 0.45
SLC6A5 Q9Y345 2/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GFER P55789 1/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.41
PAX8 Q06710 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
SCHEMBL6626307 0.86 MAPT (0.52) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL6626132 0.86 ADAM17 (0.42) MAPTALDH1A1SLC6A9SLC6A5MEN1
SCHEMBL6629939 0.83 MAPT (0.50) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL6668688 0.81 MAPT (0.49) LMNAMAPTALDH1A1MAPK1SLC6A9
SCHEMBL6625449 0.80 MAPT (0.47) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL6625004 0.77 GSK3B (0.45) LMNAMAPTALDH1A1MAPK1MEN1
SCHEMBL6697526 0.76 MAPT (0.52) LMNAMAPTALDH1A1MAPK1SLC6A9
SCHEMBL12643176 0.75 MAPT (0.74) LMNAMAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL6626698 0.75 KMT2A (0.43) LMNAMAPTALDH1A1MAPK1MEN1
SCHEMBL6626057 0.75 MAPT (0.48) LMNAMAPTALDH1A1MAPK1MEN1

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-1373219-A1 THIOHYDANTOINS AND USE THEREOF FOR TREATING DIABETES LABORATOIRES FOURNIER S.A. (FR) 2004-01-02 EP disclosed
WO-2002081453-A1 THIOHYDANTOINS AND USE THEREOF FOR TREATING DIABETES LABORATOIRES FOURNIER SA (FR) 2002-10-17 WO disclosed