SCHEMBL10337334

SCHEMBL10337334

CCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc(OC)c([N+]#N)c1.F[B-](F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.67
LMNA P02545 1/20 0.67
HTT P42858 1/20 0.67
POLB P06746 2/20 0.50
ALDH1A1 P00352 4/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
PKM P14618 1/20 0.44
KMT2A Q03164 2/20 0.44
CYP19A1 P11511 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
Perchlorate SCHEMBL10337312 0.81 HTT (0.56) MAPK1LMNAHTTPOLBALDH1A1
SCHEMBL2791351 0.81 HTT (1.00) MAPK1LMNAHTTPOLBALDH1A1
SCHEMBL2791185 0.81 HTT (1.00) MAPK1LMNAHTTPOLBALDH1A1
SCHEMBL10337341 0.78 ALDH1A1 (0.51) MAPK1LMNAHTTALDH1A1PKM
SCHEMBL10340484 0.78 ALDH1A1 (0.51) MAPK1LMNAHTTALDH1A1PKM
SCHEMBL11573896 0.78 MAPK1 (0.80) MAPK1LMNAHTTPOLBALDH1A1
SCHEMBL2955220 0.78 MAPK1 (0.80) MAPK1LMNAHTTPOLBALDH1A1
SCHEMBL11513902 0.77 MAPK1 (0.78) MAPK1LMNAHTTPOLBALDH1A1
SCHEMBL9858703 0.75 HTT (0.89) MAPK1LMNAHTTPOLBALDH1A1
SCHEMBL8777734 0.73 MAPK1 (0.71) MAPK1LMNAHTTPOLBALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0115873-B1 ANALYTICAL ELEMENT FOR QUANTITATIVE ANALYSIS OF BILIRUBIN FUJI PHOTO FILM CO., LTD. (JP) 1990-11-22 EP disclosed
US-H791-H MULTILAYER ANALYTICAL ELEMENT FOR QUANTITATIVE ANALYSIS OF BILIRUBIN KATSUYAMA HARUMI (JP) 1990-06-05 US disclosed
US-4902477-A NON-DIFFUSIVE SUBSTITUTED ARYLDIAZONIUM SALT REAGENT FUJI PHOTO FILM CO., LTD. (JP) 1990-02-20 US disclosed
EP-0119861-B1 MULTILAYER ANALYTICAL ELEMENT FOR QUANTITATIVE ANALYSIS OF BILIRUBIN FUJI PHOTO FILM CO., LTD. (JP) 1987-11-19 EP disclosed
EP-0119861-A1 Multilayer analytical element for quantitative analysis of bilirubin FUJI PHOTO FILM CO., LTD. (JP) 1984-09-26 EP disclosed
EP-0115873-A2 Analytical element for quantitative analysis of bilirubin FUJI PHOTO FILM CO., LTD. (JP) 1984-08-15 EP disclosed