SCHEMBL3469887

SCHEMBL3469887

O=C(O)CCCn1ccc2c(Br)ccnc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.44
CSNK2A1 P68400 1/20 0.44
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
ESR1 P03372 1/20 0.37
HDAC3 O15379 1/20 0.36
PARP1 P09874 1/20 0.35
POLB P06746 1/20 0.34
CTNNB1 P35222 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL2616388 0.92 ESR1 (0.44) MGAMGAASIMGAM2ESR1
SCHEMBL2123530 0.83 HDAC3 (0.38) CSNK2A2CSNK2A1FABP4FABP5MAPK13
SCHEMBL2123430 0.82 TNF (0.50) MGAMGAASIMGAM2CTNNB1
SCHEMBL21137545 0.78 NOTUM (0.43) CSNK2A2CSNK2A1FABP4FABP5MAPK13
SCHEMBL23089731 0.75 MGAM (0.39) MGAMGAASIMGAM2PARP1
SCHEMBL29814664 0.75 MGAM (0.39) MGAMGAASIMGAM2PARP1
SCHEMBL2125738 0.75 ESR1 (0.40) ESR1HDAC3PARP1POLBSMN1; SMN2
SCHEMBL28922916 0.74 MTNR1A (0.59) CSNK2A2CSNK2A1ESR1PARP1POLB
SCHEMBL28112933 0.74 NOTUM (0.43) FABP4FABP5HSD17B10TBXAS1
SCHEMBL16794890 0.73 MEN1 (0.51) GAAPOLBKDM4EHSD17B10SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010145201-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-12-23 WO disclosed