SCHEMBL7480745

SCHEMBL7480745

CC(C)Oc1cc(I)c(F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 3/20 0.42
CSNK2A1 P68400 2/20 0.41
GAA P10253 2/20 0.40
RORC P51449 1/20 0.37
MAP2 P11137 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NR1I2 O75469 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
S1PR1 P21453 3/20 0.34
S1PR3 Q99500 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL14209033 0.82 GAA (0.46) PPOXCSNK2A1GAARORCMEN1
SCHEMBL30776065 0.82 GAA (0.46) PPOXCSNK2A1GAARORCMEN1
SCHEMBL16727184 0.79 PPOX (0.43) PPOXCSNK2A1GAARORCMAP2
SCHEMBL5773826 0.79 CSNK2A1 (0.42) PPOXCSNK2A1GAARORCMAP2
SCHEMBL6718195 0.79 NPC1 (0.45) PPOXGAAKMT2AKDM4ELMNA
SCHEMBL19088281 0.79 CSNK2A1 (0.44) PPOXCSNK2A1GAARORCMAP2
SCHEMBL25306158 0.78 HTR2A (0.37) LMNA
SCHEMBL4678114 0.78 PPOX (0.45) PPOXCSNK2A1GAARORCMAP2
SCHEMBL20625298 0.76 CSNK2A1 (0.42) PPOXCSNK2A1GAARORCMAP2
SCHEMBL16606252 0.75 CSNK2A1 (0.52) PPOXCSNK2A1GAARORCMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0769008-B1 PYRAZOLE DERIVATIVES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2002-05-22 EP disclosed
US-6242634-B1 OF HERBICIDES, HALOPHENYL COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-06-05 US disclosed
US-6100257-A 2-HALOALKYL,3-(HALOALKYL, ALKENYL, OR ALKYNYL),5-(SUBSTITUTED PHENYL OR HETEROCYCLE),6-ALKYL-PYRIMIDIN-4-ONE COMPOUNDS OF GIVEN STRUCTURE; USE AS HERBICIDES SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2000-08-08 US disclosed
US-6083881-A Pyrazole derivatives as herbicides NOVARTIS CORPORATION (US) 2000-07-04 US disclosed
CN-1198742-A Pyrimidin-4-one derivatives, their use as herbicides, intermediates for their production and process for producing these compounds SUMITOMO CHEMICAL CO (JP) 1998-11-11 CN disclosed
EP-0850229-A1 PYRIMIDIN-4-ONE DERIVATIVES, THEIR USE AS HERBICIDES, INTERMEDIATES FOR THEIR PRODUCTION AND PROCESSES FOR PRODUCING THESE COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-07-01 EP disclosed
EP-0769008-A1 PYRAZOLE DERIVATIVES AS HERBICIDES Novartis AG (CH) 1997-04-23 EP disclosed
WO-1997006150-A1 PYRIMIDIN-4-ONE DERIVATIVES, THEIR USE AS HERBICIDES, INTERMEDIATES FOR THEIR PRODUCTION AND PROCESSES FOR PRODUCING THESE COMPOUNDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-02-20 WO disclosed
WO-1996001254-A1 PYRAZOLE DERIVATIVES AS HERBICIDES CIBA-GEIGY AG (CH) 1996-01-18 WO disclosed