SCHEMBL16012181

SCHEMBL16012181

CC(C)(C)S(=O)(=O)C(=[N+]=[N-])S(=O)(=O)C1CCCCC1.Cc1ccc(S(=O)(=O)C=[N+]=[N-])cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.35
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
TLR9 Q9NR96 1/20 0.33
GAA P10253 1/20 0.33
KCNH2 Q12809 1/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 3/20 0.32
TP53 P04637 2/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
EPHX2 P34913 1/20 0.31
ACHE P22303 1/20 0.30
ENPP3 O14638 1/20 0.30
ENPP1 P22413 1/20 0.30
ENPP2 Q13822 1/20 0.30

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
SCHEMBL563060 0.79 ALDH1A1 (0.44) ALDH1A1TSHRCYP3A4ADORA3GAA
SCHEMBL59313 0.79
SCHEMBL4805840 0.78
SCHEMBL1516202 0.73 TLR9 (0.59) ALDH1A1CYP3A4TLR9GAALMNA
SCHEMBL7246328 0.70
SCHEMBL3207137 0.69 ALDH1A1 (0.42) ALDH1A1CYP3A4TLR9GAAPOLB
SCHEMBL3689443 0.68 TP53 (0.37) ALDH1A1TSHRCYP3A4GAATP53
SCHEMBL4918309 0.67 GAA (0.33) ALDH1A1GAAPOLBMAPT
SCHEMBL27503502 0.67 EPHX2 (0.39) TSHRPOLBLMNAEPHX2
SCHEMBL28144322 0.67 TLR9 (0.47) ALDH1A1CYP3A4TLR9GAALMNA

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
EP-2941781-A1 PHOTOSENSITIVE GAS GENERATING AGENT AND PHOTOCURABLE COMPOSITION Canon Kabushiki Kaisha (JP) 2015-11-11 EP disclosed
WO-2014136977-A1 PHOTOSENSITIVE GAS GENERATING AGENT AND PHOTOCURABLE COMPOSITION CANON KABUSHIKI KAISHA (JP) 2014-09-12 WO disclosed