SCHEMBL16634680

SCHEMBL16634680

O=C(O)c1ccc(Nc2ccccc2[N+](=O)[O-])cc1Cl

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 3/20 0.71
MAPK12 P53778 3/20 0.71
MAPK11 Q15759 3/20 0.71
MAPK14 Q16539 3/20 0.71
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
TDP1 Q9NUW8 3/20 0.57
MAPK1 P28482 2/20 0.57
ALDH1A1 P00352 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
CASP7 P55210 1/20 0.57
MAPT P10636 2/20 0.56
GAA P10253 1/20 0.56
PKM P14618 1/20 0.56
AKR1C3 P42330 1/20 0.54
AKR1C2 P52895 1/20 0.54
KDM4E B2RXH2 1/20 0.54
ASPH Q12797 1/20 0.54
KDM8 Q8N371 1/20 0.54
LMNA P02545 1/20 0.53

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
SCHEMBL16634678 1.00 MAPK13 (0.71) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL6657882 0.89 MAPK13 (0.73) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL3301543 0.85 KMT2A (0.61) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL13874222 0.84 ALDH1A1 (0.57) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL6654262 0.84 MAPK13 (0.71) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL7192087 0.84 MAPK13 (0.78) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL6655015 0.83 MAPK14 (1.00) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL7196619 0.83 MAPK13 (0.76) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL2199203 0.83 MAPK13 (0.77) MAPK13MAPK12MAPK11MAPK14MEN1
SCHEMBL6655495 0.82 MAPK14 (0.82) MAPK13MAPK12MAPK11MAPK14MEN1

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-2015052675-A1 SUBSTITUTED DIHYDRO-BENZIMIDAZOLE COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-16 WO disclosed