SCHEMBL2559700

SCHEMBL2559700

CC(=O)Nc1cc(Oc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.46
MAPK13 O15264 3/20 0.46
PIK3C3 Q8NEB9 2/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
BRAF P15056 6/20 0.43
GCK P35557 1/20 0.42
KDR P35968 2/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
PDGFRB P09619 1/20 0.42
KIT P10721 1/20 0.42
SRC P12931 1/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
VCAM1 P19320 1/20 0.40

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
SCHEMBL2562402 0.87 SMN1; SMN2 (0.46) MAPK14MEN1KMT2ABRAFGCK
SCHEMBL23795609 0.82 HTT (0.49) MAPK14MAPK13MEN1KMT2ABRAF
SCHEMBL29397232 0.81 MEN1 (0.44) MAPK14MAPK13MEN1KMT2ABRAF
SCHEMBL13788542 0.81 HTT (0.56) MAPK14MAPK13MEN1KMT2ABRAF
SCHEMBL29083255 0.78 MEN1 (0.45) MAPK14MEN1KMT2ABRAFGCK
SCHEMBL16037109 0.77 MAPK14 (0.46) MAPK14MAPK13MEN1KMT2ABRAF
SCHEMBL29662429 0.77 MAPK14 (0.49) MAPK14MEN1KMT2AGCKKDR
SCHEMBL2562936 0.77 MAPK14 (0.49) MAPK14MEN1KMT2AGCKKDR
SCHEMBL23795622 0.75 MEN1 (0.43) MAPK14MAPK13PIK3C3MEN1KMT2A
SCHEMBL23795626 0.75 MEN1 (0.43) MAPK14MEN1KMT2ABRAFGCK

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-2556065-A1 PYRAZOLE P38 MAP KINASE INHIBITORS Respivert Limited (GB) 2013-02-13 EP disclosed
WO-2011121366-A1 PYRAZOLE P38 MAP KINASE INHIBITORS RESPIVERT LIMITED (GB) 2011-10-06 WO disclosed