SCHEMBL2599387

SCHEMBL2599387

CCCCCCCCCN(C(=O)OCC(C)C)n1c(=O)[nH]c2cc(C(F)(F)F)c(C(CC)OC)cc2c1=O

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.31
ALDH1A1 P00352 3/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
AR P10275 1/20 0.31
ASAH1 Q13510 1/20 0.31
GLA P06280 1/20 0.30
GAA P10253 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
SCHEMBL2599363 0.92 KDM4E (0.33) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL2599381 0.90 KDM4E (0.32) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL2597258 0.85 AR (0.34) AR
SCHEMBL2597356 0.81 DDR1 (0.32) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL2597292 0.80 DDR1 (0.33) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL2597194 0.78 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL2597447 0.77 DDR1 (0.34) AR
SCHEMBL2597153 0.76 DDR1 (0.35) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL12180764 0.75 DDR1 (0.35) AR
SCHEMBL12180572 0.72 DDR1 (0.31)

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