SCHEMBL1840296

SCHEMBL1840296

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

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 13/20 0.48
AGTR1 P30556 1/20 0.41
AGTR2 P50052 1/20 0.41

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
SCHEMBL1839909 0.87 BRS3 (0.48) BRS3AGTR1AGTR2
SCHEMBL6054864 0.81 RIPK1 (0.51)
SCHEMBL1839256 0.80 ESR2 (0.39) BRS3
SCHEMBL1839836 0.77 BRS3 (0.59) BRS3
SCHEMBL1844573 0.73 SOS1 (0.59) AGTR1AGTR2
SCHEMBL1839643 0.70 TAAR1 (0.48) BRS3AGTR1AGTR2
SCHEMBL2547080 0.70 MYC (0.56)
SCHEMBL9553365 0.69 BRS3 (0.53) BRS3
SCHEMBL3514348 0.69 BRS3 (0.66) BRS3
SCHEMBL22227471 0.69 LTB4R2 (0.49) BRS3

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 disclosed
WO-2010029576-A2 ANTI INFLAMMATORY COMPOUNDS ELDER PHARMACEUTICALS LTD. (IN) 2010-03-18 WO disclosed