SCHEMBL2599381

SCHEMBL2599381

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

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.32
ALDH1A1 P00352 4/20 0.32
HSD17B10 Q99714 4/20 0.32
HPGD P15428 3/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
AR P10275 1/20 0.32
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
DDR1 Q08345 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
SCHEMBL2599387 0.90 KDM4E (0.31) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL2599363 0.90 KDM4E (0.33) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL2597352 0.84 AR (0.35) ARCA12CA9DDR1
SCHEMBL2597356 0.81 DDR1 (0.32) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL2597292 0.80 DDR1 (0.33) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL2597194 0.79 KDM4E (0.38) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL2597153 0.78 DDR1 (0.35) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL2597447 0.77 DDR1 (0.34) ARCA12CA9DDR1
SCHEMBL2597258 0.76 AR (0.34) ARCA12CA9DDR1
SCHEMBL12180764 0.74 DDR1 (0.35) ARCA12CA9DDR1

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