SCHEMBL28514134

SCHEMBL28514134

Cc1cc(Nc2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])cc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ MAPK13 O15264 1/20 0.50
▸ MAPK12 P53778 1/20 0.50
▸ MAPK11 Q15759 1/20 0.50
▸ MAPK14 Q16539 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.49
▸ LMNA P02545 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ ATM Q13315 1/20 0.49
▸ MERTK Q12866 1/20 0.49
▸ ARNT P27540 2/20 0.47
▸ EPAS1 Q99814 2/20 0.47
▸ RAPGEF4 Q8WZA2 1/20 0.46
▸ PPIA P62937 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ TDP1 Q9NUW8 3/20 0.45
▸ XBP1 P17861 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ ALDH3A1 P30838 1/20 0.45

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
SCHEMBL1437881 0.77 L3MBTL1 (0.62) MEN1KMT2AMAPK13MAPK12MAPK11
SCHEMBL4589324 0.75 MAPK13 (0.68) MEN1KMT2AMAPK13MAPK12MAPK11
SCHEMBL2904234 0.75 MERTK (0.68) MEN1KMT2AALDH1A1LMNAMERTK
SCHEMBL1624206 0.73 MAPT (0.52) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL11740053 0.73 MAPT (0.55) MEN1KMT2AALDH1A1LMNAARNT
SCHEMBL11441106 0.73 HSD17B10 (0.66) MEN1KMT2AALDH1A1ATMARNT
SCHEMBL13206377 0.73 MAPK1 (0.48) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL4933766 0.72 MAPT (0.67) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL2330801 0.72 SMN1; SMN2 (0.61) MEN1KMT2AMAPK13MAPK12MAPK11
SCHEMBL1625931 0.72 KMT2A (0.46) MEN1KMT2AMAPK13MAPK12MAPK11

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
CN-111704579-B Benzimidazole compound synthesis method based on iron-catalyzed redox coupling reaction 中国农业大学 2021-12-14 — — CN disclosed
CN-111704579-A Benzimidazole compound synthesis method based on iron-catalyzed redox coupling reaction 中国农业大学 2020-09-25 — — CN disclosed
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