SCHEMBL6180492

SCHEMBL6180492

O=[N+]([O-])c1ccccc1Nc1nc(Cl)nc(Cl)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
MAPK1 P28482 5/20 0.56
L3MBTL1 Q9Y468 4/20 0.56
ALDH1A1 P00352 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
CASP7 P55210 1/20 0.56
MAPT P10636 7/20 0.54
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
RAB9A P51151 2/20 0.54
EGFR P00533 1/20 0.51
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
EPAS1 Q99814 1/20 0.50
NFKB1 P19838 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL6178230 0.81 L3MBTL1 (0.60) TSHRMAPK1L3MBTL1ALDH1A1TDP1
SCHEMBL9513799 0.80 MAPT (0.50) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL10429468 0.79 MAPT (0.56) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL6178609 0.79 KCNMA1 (0.49) TSHRMAPK1L3MBTL1ALDH1A1TDP1
SCHEMBL397773 0.78 MAPK1 (0.77) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL11837274 0.78 TSHR (0.80) TSHRMAPK1ALDH1A1MAPTKMT2A
SCHEMBL6951149 0.78 MAPK1 (0.61) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL6178841 0.77 MAPK1 (0.51) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL2676946 0.76 MAPK1 (0.64) MAPK1L3MBTL1ALDH1A1TDP1CASP7
SCHEMBL6176751 0.76 GAA (0.59) MAPK1L3MBTL1ALDH1A1TDP1MAPT

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
EP-1132387-B1 PYRIMIDINYLBENZIMIDAZOLE AND TRIAZINYLBENZIMIDAZOLE DERIVATIVES AND AGRICULTURAL/HORTICULTURAL FUNGICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2005-09-28 EP claimed