SCHEMBL3849522

SCHEMBL3849522

O=S(=O)(Nc1ccnn1-c1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 10/20 0.81
CYP2C19 P33261 4/20 0.76
CYP2C18 P33260 3/20 0.76
TSHR P16473 2/20 0.76
LMNA P02545 1/20 0.76
POLB P06746 1/20 0.76
CYP3A4 P08684 1/20 0.76
NFKB1 P19838 1/20 0.76
THPO P40225 1/20 0.76
NPSR1 Q6W5P4 1/20 0.76
HSD17B10 Q99714 1/20 0.76
TDP1 Q9NUW8 1/20 0.76
CYP2C8 P10632 3/20 0.66
KMT2A Q03164 2/20 0.62
OXTR P30559 4/20 0.57
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53

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
Sulfaphenazole SCHEMBL122040 0.86 CYP2C9 (1.00) CYP2C9CYP2C19CYP2C18TSHRLMNA
SCHEMBL3849178 0.83 CYP2C9 (0.71) CYP2C9CYP2C19CYP2C18TSHRLMNA
SCHEMBL3845328 0.83 CYP2C9 (0.75) CYP2C9CYP2C19CYP2C18TSHRLMNA
SCHEMBL5450995 0.82 CYP2C9 (0.78) CYP2C9CYP2C19CYP2C18TSHRLMNA
SCHEMBL3851318 0.80 CYP2C9 (1.00) CYP2C9CYP2C19CYP2C18TSHRLMNA
SCHEMBL15834271 0.79 CYP2C9 (0.69) CYP2C9CYP2C19CYP2C18TSHRLMNA
SCHEMBL11267272 0.77 CYP2C9 (0.77) CYP2C9CYP2C19CYP2C18TSHRLMNA
Sulfaphenazole SCHEMBL28086445 0.77 CYP2C9 (0.80) CYP2C9CYP2C19CYP2C18TSHRLMNA
SCHEMBL18498804 0.77 OXTR (0.73) CYP2C9CYP2C19CYP2C18TSHRLMNA
Sulfaphenazole SCHEMBL13723748 0.75 CYP2C9 (0.77) CYP2C9CYP2C19CYP2C18TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2011489-A2 Method to inhibit ischemia and reperfusion injury Gottlieb, Roberta (US) 2009-01-07 EP disclosed
EP-1523310-A2 METHOD TO INHIBIT ISCHEMIA AND REPERFUSION INJURY The Scripps Research Institute (US) 2005-04-20 EP disclosed
WO-2004004702-A2 METHOD TO INHIBIT ISCHEMIA AND REPERFUSION INJURY THE SCRIPPS RESEARCH INSTITUTE (US) 2004-01-15 WO disclosed