SCHEMBL1979079

SCHEMBL1979079

COc1c([N+](=O)[O-])c(F)c(F)c2[nH]c(=O)n(-c3ccc(I)cc3F)c12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 7/20 0.40
GRIN3B O60391 7/20 0.40
GRIN1 Q05586 7/20 0.40
GRIN2A Q12879 7/20 0.40
GRIN2B Q13224 7/20 0.40
GRIN2C Q14957 7/20 0.40
GRIN3A Q8TCU5 7/20 0.40
F10 P00742 1/20 0.31
LMNA P02545 1/20 0.30
PKM P14618 1/20 0.30
MAPK13 O15264 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 1/20 0.30

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
SCHEMBL1991827 0.92 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1979772 0.88 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12540203 0.80 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12694978 0.78 GRIN2D (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12539974 0.78 MAPK13 (0.32) F10MAPK13MAPK12MAPK11MAPK14
SCHEMBL1982252 0.76 MAP2K1 (0.37) F10PKMMAPK13MAPK12MAPK11
SCHEMBL388455 0.71 MAPK13 (0.34) MAPK13MAPK12MAPK11MAPK14
SCHEMBL684564 0.71 MAPK13 (0.39) MAPK13MAPK12MAPK11MAPK14
SCHEMBL12540517 0.70 RXFP1 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13063584 0.69 MAP2K1 (0.35) F10MAPK13MAPK12MAPK11MAPK14

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-2509964-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES Novartis AG (CH) 2012-10-17 EP disclosed
WO-2011070030-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2011-06-16 WO disclosed