SCHEMBL14746704

SCHEMBL14746704

O=[N+]([O-])c1ccc(-c2ccccc2OC(F)(F)F)c(-n2ccnn2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
SCN10A Q9Y5Y9 3/20 0.38
TLR2 O60603 1/20 0.37
TLR1 Q15399 1/20 0.37
RECQL P46063 1/20 0.36
KCNN4 O15554 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
PTPRC P08575 2/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
CES1 P23141 1/20 0.35
S100A4 P26447 1/20 0.35
SCN9A Q15858 2/20 0.35
GPR3 P46089 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 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
SCHEMBL14746497 0.82 RECQL (0.41) TLR2TLR1RECQLL3MBTL1PTPRC
SCHEMBL14744381 0.78 GAA (0.49) LMNAMEN1MAPTHTTKMT2A
SCHEMBL14744240 0.75 HSPB1 (0.47) KCNN4AKR1C3AKR1C2PTPRCBCHE
SCHEMBL14746593 0.74 HSD17B10 (0.45) LMNAAKR1C3AKR1C2PTPRCBCHE
SCHEMBL14744328 0.74 CYP19A1 (0.52) AKR1C3AKR1C2PTPRCBCHEACHE
SCHEMBL14746807 0.74 AKR1C3 (0.46) LMNASCN10ATLR2TLR1RECQL
SCHEMBL14744310 0.74 PTPRC (0.42) KCNN4L3MBTL1AKR1C3AKR1C2PTPRC
SCHEMBL14746823 0.73 PTPRC (0.44) TLR2TLR1L3MBTL1AKR1C3AKR1C2
SCHEMBL16103384 0.73 NOTUM (0.43) KCNN4
SCHEMBL14746841 0.73 PTGS2 (0.50) AKR1C3AKR1C2PTPRCBCHEACHE

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-2013029338-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-03-07 WO disclosed