SCHEMBL4636829

SCHEMBL4636829

O=C(O)/C=C/c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
HTT P42858 1/20 0.53
ALDH1A1 P00352 6/20 0.51
KMT2A Q03164 7/20 0.49
ATM Q13315 1/20 0.49
MEN1 O00255 6/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 3/20 0.46
SNCA P37840 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
PLA2G4A P47712 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DBH P09172 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
SCHEMBL4636830 1.00 POLB (0.53) POLBHTTALDH1A1KMT2AATM
SCHEMBL3532565 0.88 ALDH1A1 (0.49) POLBHTTALDH1A1KMT2AATM
SCHEMBL4635932 0.84 MAPT (0.44) POLBHTTALDH1A1KMT2AATM
SCHEMBL4635927 0.84 MAPT (0.44) POLBHTTALDH1A1KMT2AATM
SCHEMBL3532566 0.81 ALDH1A1 (0.54) POLBHTTALDH1A1KMT2AATM
SCHEMBL3532567 0.81 ALDH1A1 (0.54) POLBHTTALDH1A1KMT2AATM
SCHEMBL5594752 0.79 PLA2G4A (0.50) POLBALDH1A1KMT2AMEN1GAA
SCHEMBL5594757 0.79 PLA2G4A (0.50) POLBALDH1A1KMT2AMEN1GAA
SCHEMBL5594749 0.79 PLA2G4A (0.50) POLBALDH1A1KMT2AMEN1GAA
SCHEMBL3535128 0.76 HTT (0.60) POLBHTTALDH1A1KMT2AATM

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-1931640-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth a Corporation of the State of Delaware (US) 2008-06-18 EP disclosed
WO-2007021711-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-02-22 WO disclosed