SCHEMBL2599232

SCHEMBL2599232

CCCC(=O)CS(=O)(=O)Nn1c(=O)[nH]c2cc(C(F)(F)F)c(-c3ccnn3C)cc2c1=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.35
CYP1A2 P05177 1/20 0.34
METAP2 P50579 1/20 0.34
CA12 O43570 2/20 0.32
CA9 Q16790 2/20 0.32
HAVCR2 Q8TDQ0 1/20 0.32
ELANE P08246 1/20 0.32
DDR1 Q08345 2/20 0.32
SCN9A Q15858 2/20 0.30
SCN5A Q14524 1/20 0.30
BDKRB2 P30411 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
SCHEMBL14719753 0.96 LIPG (0.34) LIPGCYP1A2METAP2CA12CA9
SCHEMBL2597134 0.89 HAVCR2 (0.33) HAVCR2
SCHEMBL1661230 0.84 CYP1A2 (0.39) LIPGCYP1A2METAP2CA12CA9
SCHEMBL2597069 0.79 CYP1A2 (0.34) LIPGCYP1A2METAP2CA12CA9
SCHEMBL1001057 0.78 CYP1A2 (0.36) CYP1A2METAP2CA12CA9HAVCR2
SCHEMBL2597063 0.77 KDM4E (0.33) LIPGCYP1A2METAP2CA12CA9
SCHEMBL2597332 0.76 KDM4E (0.34) LIPGCYP1A2METAP2CA12CA9
SCHEMBL2597235 0.76 CCNK (0.35) CA12CA9DDR1
SCHEMBL1661031 0.76 CA12 (0.39) CA12CA9DDR1
SCHEMBL2599352 0.75 DDR1 (0.34) CA12CA9DDR1

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-2571865-A1 2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL-SULFONAMIDE DERIVATIVES Novartis AG (CH) 2013-03-27 EP disclosed
WO-2011144666-A1 2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL-SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2011-11-24 WO disclosed