SCHEMBL9506543

SCHEMBL9506543

CC(OS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
IDO1 P14902 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
MAPT P10636 1/20 0.38
CYP19A1 P11511 1/20 0.38
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA9 Q16790 3/20 0.37
CA12 O43570 2/20 0.37
CA7 P43166 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
CA14 Q9ULX7 1/20 0.37
TSHR P16473 1/20 0.36
CA5A P35218 1/20 0.36

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
SCHEMBL9507552 0.81 KMT2A (0.45) HTTMEN1KMT2ACA1CA2
SCHEMBL28373028 0.77 HTT (0.59) HTTMEN1KMT2AL3MBTL1MAPT
SCHEMBL28498471 0.73 HTT (0.57) HTTIDO1MEN1KMT2AL3MBTL1
SCHEMBL6748170 0.70 LOXL2 (0.47) HTTIDO1MEN1KMT2AL3MBTL1
SCHEMBL515031 0.69 LOXL2 (0.53) HTTIDO1MEN1KMT2AL3MBTL1
SCHEMBL6940919 0.69 LOXL2 (0.53) HTTIDO1MEN1KMT2ALOXL2
SCHEMBL28357735 0.69 LOXL2 (0.57) HTTIDO1MEN1KMT2ALOXL2
SCHEMBL5872160 0.68 HTT (0.51) HTTIDO1KMT2AL3MBTL1LOXL2
SCHEMBL2995728 0.68 MAPT (0.48) HTTMEN1KMT2ALOXL2MAPT
SCHEMBL9303069 0.68 POLB (0.48) HTTKMT2AMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0337820-B1 PENTAFLUOROPHENYL DERIVATIVES, METHODS OF PRODUCTION OF SUCH DERIVATIVES INCLUDING OPTICALLY ACTIVE DERIVATIVES, AND METHOD OF OPTICAL RESOLUTION OF CHIRAL CARBOXYLIC ACIDS NIKKO KYODO CO., LTD. (JP) 1993-07-28 EP disclosed
US-5041641-A Pentafluorophenyl derivatives, methods of production thereof, and method of optical resolution of chiral carboxylic acids NIPPON MINING COMPANY LIMITED (JP) 1991-08-20 US disclosed
EP-0337820-A1 Pentafluorophenyl derivatives, methods of production of such derivatives including optically active derivatives, and method of optical resolution of chiral carboxylic acids NIKKO KYODO CO., LTD. (JP) 1989-10-18 EP disclosed