SCHEMBL5862006

SCHEMBL5862006

CC(C)c1c([N+](=O)[O-])c(C(C)C)c(S(=O)(=O)[O-])c(C(C)C)c1[N+](=O)[O-].Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.37
HSP90AA1 P07900 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
ALDH1A1 P00352 5/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 2/20 0.32
HTT P42858 1/20 0.32
TLR9 Q9NR96 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
ACHE P22303 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
CNR2 P34972 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL5378739 0.89 HPRT1 (0.36) HPRT1HSP90AA1CRHBPCRHR2MAPT
SCHEMBL3144525 0.74 CA12 (0.46) ALDH1A1HTTTLR9CYP3A4CA12
SCHEMBL2964104 0.74 CA12 (0.46) ALDH1A1HTTTLR9CYP3A4CA12
SCHEMBL5549805 0.74 FABP4 (0.42) ALDH1A1MAPTACHETDP1CNR2
SCHEMBL3197499 0.74 CNR2 (0.50) ALDH1A1MAPTHTTCYP3A4CA12
SCHEMBL5404846 0.74 ACHE (0.42) HPRT1HSP90AA1ALDH1A1HTTTLR9
SCHEMBL2958639 0.73 ALDH1A1 (0.32) ALDH1A1MAPTHTTCYP3A4CA12
SCHEMBL2962482 0.73 GAA (0.45) ALDH1A1HTTTLR9CYP3A4CA12
SCHEMBL7133269 0.73 CA12 (0.47) ALDH1A1HTTTLR9CYP3A4CA12
SCHEMBL64189 0.73 CA12 (0.47) ALDH1A1HTTTLR9CYP3A4CA12

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
US-7135268-B2 Using aromatic sulfonate compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-11-14 US disclosed
US-20040029037-A1 Amplification type positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-02-12 US disclosed