SCHEMBL11608010

SCHEMBL11608010

O=c1n(-c2ccc([N+](=O)[O-])cc2)c(=O)n(SC(Cl)(Cl)Cl)n1SC(Cl)(Cl)Cl

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
LMNA P02545 2/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
SCN2A Q99250 1/20 0.41
KAT2B Q92831 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.39
NPC1 O15118 1/20 0.39
SIRT6 Q8N6T7 2/20 0.38
POLB P06746 2/20 0.38
ADRB1 P08588 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
PLEC Q15149 1/20 0.37

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
SCHEMBL9187712 0.80 GSK3A (0.56) GSK3AGSK3BLMNAMAPTALDH1A1
SCHEMBL11606563 0.80 GSK3A (0.46) GSK3AGSK3BLMNAMAPTGAA
SCHEMBL11607156 0.78 GSK3A (0.45) GSK3AGSK3BLMNAMAPTKMT2A
SCHEMBL11607976 0.78 GSK3B (0.48) GSK3AGSK3BLMNAALDH1A1GAA
SCHEMBL11264674 0.77 MEN1 (0.44) LMNAMAPTALDH1A1GAAPKM
SCHEMBL11611982 0.75 GSK3A (0.50) GSK3AGSK3BGAA
SCHEMBL11609052 0.75 NPC1 (0.34) GSK3AGSK3BALDH1A1NPC1
SCHEMBL11606034 0.74 GSK3A (0.50) GSK3AGSK3BLMNAMAPTALDH1A1
SCHEMBL11365363 0.73 MAPT (0.54) GSK3AGSK3BLMNAMAPTALDH1A1
SCHEMBL11364832 0.73 MAPT (0.59) GSK3AGSK3BLMNAMAPTALDH1A1

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-4087534-A N-haloalkylmio urazole pesticides OVADIA DAVID 1978-05-02 US disclosed