SCHEMBL1839909

SCHEMBL1839909

COC(=O)c1ccccc1-c1ccc(Cc2nc([N+](=O)[O-])c[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 3/20 0.48
SLC6A3 Q01959 4/20 0.45
SLC6A4 P31645 3/20 0.45
SLC6A2 P23975 1/20 0.44
BDKRB1 P46663 8/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40
RNASEH1 O60930 1/20 0.39

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
SCHEMBL1840296 0.87 BRS3 (0.48) BRS3AGTR1AGTR2
SCHEMBL1839256 0.76 ESR2 (0.39) BRS3
SCHEMBL2548788 0.73 ALDH1A1 (0.51) BRS3SLC6A3SLC6A4BDKRB1AGTR1
SCHEMBL9488402 0.73 SLC6A3 (0.63) SLC6A3SLC6A4SLC6A2
SCHEMBL14326964 0.71 SLC6A3 (0.69) BRS3SLC6A3SLC6A4SLC6A2BDKRB1
SCHEMBL3112718 0.71 SLC6A3 (0.69) BRS3SLC6A3SLC6A4SLC6A2BDKRB1
SCHEMBL29979869 0.71 SLC6A3 (0.69) BRS3SLC6A3SLC6A4SLC6A2BDKRB1
SCHEMBL16669003 0.71 MEN1 (0.43) SLC6A3RNASEH1
SCHEMBL2642187 0.70 SLC6A3 (0.67) BRS3SLC6A3SLC6A4SLC6A2BDKRB1
Bromide SCHEMBL8670915 0.69 SLC6A3 (0.65) BRS3SLC6A3SLC6A4SLC6A2BDKRB1

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-2321281-A2 ANTI INFLAMMATORY COMPOUNDS Elder Pharmaceuticals Ltd (IN) 2011-05-18 EP claimed
WO-2010029576-A2 ANTI INFLAMMATORY COMPOUNDS ELDER PHARMACEUTICALS LTD. (IN) 2010-03-18 WO claimed