SCHEMBL9856861

SCHEMBL9856861

CCCOC(=O)COc1cc(-c2nn(C)c(OC(F)F)c2Cl)c(F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
ALDH1A1 P00352 3/20 0.38
PPOX P50336 1/20 0.37
TSHR P16473 2/20 0.36
PKM P14618 2/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 3/20 0.32
CNR1 P21554 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HPGD P15428 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
Pyraflufen-Ethyl SCHEMBL29480904 0.93 PPOX (0.44) TDP1L3MBTL1ALDH1A1PPOXTSHR
Pyraflufen-Ethyl SCHEMBL53390 0.93 PPOX (0.44) TDP1L3MBTL1ALDH1A1PPOXTSHR
SCHEMBL9857313 0.93 L3MBTL1 (0.39) TDP1L3MBTL1ALDH1A1PPOXTSHR
SCHEMBL9857318 0.89 LMNA (0.44) TDP1L3MBTL1ALDH1A1PPOXTSHR
Pyraflufen-Ethyl SCHEMBL28092081 0.88 PPOX (0.41) TDP1L3MBTL1ALDH1A1PPOXTSHR
SCHEMBL9857280 0.87 TSHR (0.35) TDP1L3MBTL1ALDH1A1PPOXTSHR
SCHEMBL4898211 0.87 TDP1 (0.36) TDP1ALDH1A1TSHRPKMLMNA
SCHEMBL38952 0.87 TDP1 (0.36) TDP1ALDH1A1TSHRPKMLMNA
SCHEMBL9857078 0.85 GAA (0.42) TDP1L3MBTL1ALDH1A1PPOXTSHR
SCHEMBL27833523 0.84 PPOX (0.44) TDP1L3MBTL1ALDH1A1PPOXTSHR

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-0443059-A1 3-(Substituted phenyl)pyrazole derivatives, salts thereof, herbicides therefrom, and process for producing said derivatives or salts NIHON NOHYAKU CO., LTD. (JP) 1991-08-28 EP claimed
US-5032165-A 3-(substituted phenyl)pyrazole derivatives, salts thereof, and herbicides therefrom NIHON NOHYAKU COMPANY, LTD. (JP) 1991-07-16 US claimed
EP-0361114-A1 3-(Substituted phenyl) pyrazole derivatives, salts thereof, herbicides therefrom, and process for producing said derivatives or salts NIHON NOHYAKU CO., LTD. (JP) 1990-04-04 EP claimed