SCHEMBL5264477

SCHEMBL5264477

NC(N)=NC(=O)c1cnn(-c2c(Br)ccc3ncccc23)c1C1CC1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 9/20 0.71
SLC9A2 Q9UBY0 4/20 0.71
OPRM1 P35372 1/20 0.70
OPRD1 P41143 1/20 0.70
OPRK1 P41145 1/20 0.70
KEAP1 Q14145 2/20 0.38
NFE2L2 Q16236 2/20 0.38
SLC2A1 P11166 1/20 0.37
MALT1 Q9UDY8 5/20 0.33
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
CYP2C9 P11712 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL4454352 0.89 SLC9A1 (0.71) SLC9A1SLC9A2OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL6320675 0.88 SLC9A1 (0.72) SLC9A1SLC9A2OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL6319982 0.88 SLC9A1 (0.72) SLC9A1SLC9A2OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL6599287 0.86 SLC9A1 (0.69) SLC9A1SLC9A2OPRM1OPRD1OPRK1
SCHEMBL5264472 0.84 SLC9A1 (0.50) SLC9A1SLC9A2OPRM1OPRD1OPRK1
Zoniporide SCHEMBL611159 0.83 SLC9A1 (1.00) SLC9A1SLC9A2OPRM1OPRD1OPRK1
SCHEMBL4452009 0.83 SLC9A1 (0.71) SLC9A1SLC9A2OPRM1OPRD1OPRK1
Zoniporide SCHEMBL29711703 0.82 SLC9A1 (1.00) SLC9A1SLC9A2OPRM1OPRD1OPRK1
Zoniporide SCHEMBL6260017 0.82 SLC9A1 (0.98) SLC9A1SLC9A2OPRM1OPRD1OPRK1
Zoniporide SCHEMBL30148157 0.82 SLC9A1 (1.00) SLC9A1SLC9A2OPRM1OPRD1OPRK1

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-1491541-B1 Pyridazinone aldose reductase inhibitors PFIZER PROD INC (US) 2007-01-24 EP disclosed