SCHEMBL5264472

SCHEMBL5264472

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 6/20 0.50
SLC9A2 Q9UBY0 3/20 0.50
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
SLC2A1 P11166 1/20 0.36
MALT1 Q9UDY8 8/20 0.36
TP53 P04637 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
MAT2A P31153 2/20 0.33

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
SCHEMBL4454346 0.89 SLC9A1 (0.50) SLC9A1SLC9A2OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL6319975 0.88 SLC9A1 (0.51) SLC9A1SLC9A2OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL6319935 0.88 SLC9A1 (0.51) SLC9A1SLC9A2OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL6868654 0.85 SLC9A1 (0.51) SLC9A1SLC9A2OPRM1OPRD1OPRK1
SCHEMBL5264477 0.84 SLC9A1 (0.71) SLC9A1SLC9A2OPRM1OPRD1OPRK1
Zoniporide SCHEMBL4461125 0.83 SLC9A1 (0.71) SLC9A1SLC9A2OPRM1OPRD1OPRK1
SCHEMBL6210590 0.83 SLC9A1 (0.50) SLC9A1SLC9A2OPRM1OPRD1OPRK1
Zoniporide SCHEMBL6586323 0.83 SLC9A1 (0.69) SLC9A1SLC9A2OPRM1OPRD1OPRK1
Zoniporide SCHEMBL6313038 0.83 SLC9A1 (0.71) SLC9A1SLC9A2OPRM1OPRD1OPRK1
Zoniporide SCHEMBL6312868 0.83 SLC9A1 (0.69) 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