SCHEMBL12436754

SCHEMBL12436754

NC(=O)C(F)(F)Sc1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
KIF11 P52732 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KCNK2 O95069 2/20 0.38
KCNK10 P57789 2/20 0.38
NPC1 O15118 2/20 0.38
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RAB9A P51151 1/20 0.36
FKBP1A P62942 1/20 0.36
MMP1 P03956 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35

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
SCHEMBL2945879 0.80 MAPT (0.41) CYP2C19KIF11HSD17B10KCNK2KCNK10
SCHEMBL12436742 0.78 PDK1 (0.39) CYP2C9CYP2C19HSD17B10KCNK2KCNK10
SCHEMBL12438111 0.73 CYP1A2 (0.51) CYP2C9CYP2C19NPC1HTTMAPT
SCHEMBL8941845 0.72 ALDH1A1 (0.58) KIF11KCNK2KCNK10NPC1HTT
SCHEMBL8005997 0.72 KCNK2 (0.54) KIF11KCNK2KCNK10HTTLMNA
SCHEMBL23077098 0.69 MIF (0.44) CYP2C9CYP2C19KIF11NPC1LMNA
SCHEMBL4306807 0.69 MAPT (0.36) CYP2C9CYP2C19HSD17B10KCNK2KCNK10
SCHEMBL13950430 0.69 MAPT (0.41) CYP2C9CYP2C19HSD17B10KCNK2KCNK10
SCHEMBL4052304 0.69 MAPT (0.54) CYP2C9CYP2C19HSD17B10NPC1HTT
SCHEMBL8941503 0.69 LMNA (0.38) CYP2C9CYP2C19HSD17B10KCNK2KCNK10

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-1304316-B1 PROCESSES FOR THE PRODUCTION OF FLUORINATED ORGANIC COMPOUNDS AND FLUORINATING AGENTS DAIKIN IND LTD (JP) 2011-08-10 EP disclosed
US-7311890-B2 Process for the production of fluorinated organic compounds and fluorinating agents DAIKIN INDUSTRIES, LTD. (JP) 2007-12-25 US disclosed
US-7311890-B2 Process for the production of fluorinated organic compounds and fluorinating agents DAIKIN INDUSTRIES, LTD. (JP) 2007-12-25 US disclosed