SCHEMBL3845016

SCHEMBL3845016

CCN(c1ccnn1-c1ccccc1)S(=O)(=O)c1ccc(N)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C18 P33260 18/20 1.00
CYP2C9 P11712 16/20 1.00
CYP2C8 P10632 13/20 1.00
CYP2C19 P33261 12/20 0.79
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
THPO P40225 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL3847126 0.91 CYP2C18 (1.00) CYP2C18CYP2C9CYP2C8CYP2C19LMNA
SCHEMBL3849461 0.84 CYP2C18 (1.00) CYP2C18CYP2C9CYP2C8CYP2C19LMNA
SCHEMBL2603075 0.74 ESR1 (0.71) CYP2C18CYP2C9CYP2C8LMNATSHR
SCHEMBL31220001 0.73 CYP2C9 (0.56) CYP2C18CYP2C9CYP2C8CYP2C19LMNA
SCHEMBL896130 0.72 CYP2C18 (1.00) CYP2C18CYP2C9CYP2C8CYP2C19
Sulfaphenazole SCHEMBL122040 0.70 CYP2C9 (1.00) CYP2C18CYP2C9CYP2C8CYP2C19LMNA
Sulfaphenazole SCHEMBL13723748 0.66 CYP2C9 (0.77) CYP2C18CYP2C9CYP2C8CYP2C19LMNA
Sulfaphenazole SCHEMBL28086445 0.65 CYP2C9 (0.80) CYP2C18CYP2C9CYP2C8CYP2C19LMNA
SCHEMBL10979953 0.64 CYP2C9 (0.51) CYP2C18CYP2C9CYP2C8CYP2C19CYP3A4
SCHEMBL3314209 0.64 LMNA (0.70) LMNAPOLBTSHRTDP1

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
EP-2011489-A2 Method to inhibit ischemia and reperfusion injury Gottlieb, Roberta (US) 2009-01-07 EP disclosed