SCHEMBL3725045

SCHEMBL3725045

CC(C)(C)OC(=O)n1c(-c2ccccc2)c(Br)c2cc(CBr)cc([N+](=O)[O-])c21.Cc1cc([N+](=O)[O-])c2c(c1)cc(-c1ccccc1)n2C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.39
NR1H3 Q13133 3/20 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
SCHEMBL3000328 0.91 MCL1 (0.35) NR1H2NR1H3
SCHEMBL27808381 0.84 NR1H2 (0.36) NR1H2NR1H3
SCHEMBL3011389 0.84 NR1H2 (0.46) NR1H2NR1H3
SCHEMBL3415067 0.78 ALDH1A1 (0.35)
SCHEMBL29205607 0.77 NR1H2 (0.49) NR1H2NR1H3
SCHEMBL30182892 0.77 NR1H2 (0.51) NR1H2NR1H3
SCHEMBL29205627 0.77 NR1H2 (0.51) NR1H2NR1H3
SCHEMBL31022362 0.76 NR1H2 (0.42) NR1H2NR1H3
SCHEMBL3760238 0.76 NR1H2 (0.34) NR1H2NR1H3
SCHEMBL3003787 0.76 ACHE (0.35) NR1H2NR1H3

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-2178870-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG Life Sciences Ltd. (KR) 2010-04-28 EP disclosed
WO-2009025478-A1 INDOLE AND INDAZOLE COMPOUNDS AS AN INHIBITOR OF CELLULAR NECROSIS LG LIFE SCIENCES LTD. (KR) 2009-02-26 WO disclosed