SCHEMBL9857313

SCHEMBL9857313

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
TSHR P16473 3/20 0.39
ALDH1A1 P00352 3/20 0.39
PKM P14618 2/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.36
CNR1 P21554 1/20 0.34
MAPK1 P28482 2/20 0.33
PPOX P50336 1/20 0.33
MAPT P10636 3/20 0.32
HSP90AB1 P08238 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HPGD P15428 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL9856861 0.93 TDP1 (0.38) L3MBTL1TDP1TSHRALDH1A1PKM
SCHEMBL9857078 0.92 GAA (0.42) L3MBTL1TDP1TSHRALDH1A1PKM
SCHEMBL9856765 0.88 LMNA (0.49) L3MBTL1TDP1TSHRALDH1A1GAA
SCHEMBL9857265 0.87 TDP1 (0.38) L3MBTL1TDP1TSHRALDH1A1PKM
Pyraflufen-Ethyl SCHEMBL53390 0.85 PPOX (0.44) L3MBTL1TDP1TSHRALDH1A1PKM
Pyraflufen-Ethyl SCHEMBL29480904 0.85 PPOX (0.44) L3MBTL1TDP1TSHRALDH1A1PKM
SCHEMBL9857318 0.81 LMNA (0.44) L3MBTL1TDP1TSHRALDH1A1GAA
Pyraflufen-Ethyl SCHEMBL28092081 0.81 PPOX (0.41) L3MBTL1TDP1TSHRALDH1A1PKM
SCHEMBL9856871 0.80 PPOX (0.41) L3MBTL1TDP1TSHRALDH1A1GAA
SCHEMBL9857280 0.79 TSHR (0.35) L3MBTL1TDP1TSHRALDH1A1LMNA

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