SCHEMBL11809372

SCHEMBL11809372

O=c1on(-c2ccc([N+](=O)[O-])cc2)c(=O)n1C(Cl)(Cl)Cl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 1/20 0.39
KAT2B Q92831 1/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
SIRT6 Q8N6T7 2/20 0.36
POLB P06746 2/20 0.36
ADRB1 P08588 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PLEC Q15149 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
CTSG P08311 1/20 0.34
CMA1 P23946 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
SCHEMBL11860179 0.85 MAPT (0.46) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL9187712 0.66 GSK3A (0.56) SCN2AKAT2BMAPTALDH1A1GAA
SCHEMBL9587192 0.65 KAT2B (0.41) SCN2AKAT2BMAPTALDH1A1GAA
SCHEMBL11608010 0.65 GSK3A (0.44) SCN2AKAT2BMAPTALDH1A1GAA
SCHEMBL11616062 0.65 GSK3A (0.48) SCN2AMAPTALDH1A1GAAPKM
SCHEMBL22567 0.62 ALDH1A1 (0.72) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL27909482 0.62 ALDH1A1 (0.72) ALDH1A1MAPK1MEN1KMT2ALMNA
SCHEMBL31011685 0.62 MAPT (0.56) SCN2AMAPTALDH1A1GAAPKM
SCHEMBL30808429 0.62 MAPT (0.47) SCN2AMAPTALDH1A1GAAPKM
SCHEMBL677900 0.61 HSD17B10 (0.52) MAPTALDH1A1MAPK1POLBLMNA

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
US-3944410-A Substituted oxadiazolidine dione herbicides VELSICOL CHEMICAL CORPORATION (US) 1976-03-16 US claimed