SCHEMBL1979772

SCHEMBL1979772

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

nearest known ligand 0.40

Predicted protein targets (top 19)

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
RXFP1 Q9HBX9 1/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PKM P14618 2/20 0.31
F10 P00742 1/20 0.31
GPR35 Q9HC97 1/20 0.30
LMNA P02545 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
SCHEMBL12540203 0.92 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1979079 0.88 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12540517 0.80 RXFP1 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1991827 0.80 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12694979 0.78 MEN1 (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12540185 0.78 RXFP1 (0.35) RXFP1MAPTMEN1KMT2AF10
SCHEMBL12540303 0.75 RXFP1 (0.36) RXFP1MAPTMEN1KMT2APKM
SCHEMBL1981390 0.70 HSP90AA1 (0.36) RXFP1MAPTMEN1KMT2AMAPK13
SCHEMBL12541051 0.66 HSP90AA1 (0.36) RXFP1MAPTMEN1KMT2AMAPK13
SCHEMBL12694977 0.66 HSP90AA1 (0.36) RXFP1MAPTMEN1KMT2AMAPK13

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