SCHEMBL27413610

SCHEMBL27413610

CC(C)c1nc(CCOC(N)=O)n(Cc2ccccn2)c1S(=O)(=O)Oc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.34
TLR7 Q9NYK1 2/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
TP53 P04637 1/20 0.32
SLC16A3 O15427 1/20 0.31
SLC16A1 P53985 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL27393446 0.91 TLR7 (0.36) PLA2G2ATLR7CA12CA1CA2
SCHEMBL27390720 0.91 S1PR3 (0.36) PLA2G2AALDH1A1TP53SLC16A3SLC16A1
SCHEMBL27537386 0.91 ADRA1D (0.34) PLA2G2ATLR7
SCHEMBL27534445 0.91 S1PR3 (0.37) PLA2G2ATLR7ALDH1A1MEN1KMT2A
SCHEMBL27407857 0.87 TLR7 (0.36) PLA2G2ATLR7CA12CA1CA2
SCHEMBL27389957 0.87 ALDH1A1 (0.35) TLR7CA12CA1CA2CA9
SCHEMBL27413615 0.87 KDM4E (0.33) PLA2G2ATLR7KDM4EALDH1A1MEN1
SCHEMBL27414207 0.85 LOXL2 (0.35) PLA2G2ATLR7CA12CA1CA2
SCHEMBL27412966 0.85 ENPP2 (0.36) PLA2G2AKDM4EALDH1A1HTTATM
SCHEMBL27391542 0.84 TLR7 (0.35) TLR7KDM4EALDH1A1HDAC1HDAC8

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-1093535-C Imidazole derivative SHIONOGI & CO (JP) 2002-10-30 CN disclosed
CN-1158609-A Imidazole derivative SHIONOGI & CO (JP) 1997-09-03 CN disclosed