SCHEMBL5774595

SCHEMBL5774595

O=c1[nH]c(C(F)(F)F)ccc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
HSD17B2 P37059 7/20 0.43
TNF P01375 1/20 0.43
NOD1 Q9Y239 1/20 0.43
HSD17B1 P14061 4/20 0.43
GUSB P08236 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HSD11B1 P28845 1/20 0.39
PPOX P50336 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
AHR P35869 1/20 0.37
S100A4 P26447 1/20 0.36
MEN1 O00255 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
SCHEMBL8190255 0.78 ALDH1A1 (0.44) KDM4ETNFNOD1GUSBALDH1A1
SCHEMBL5773748 0.75 KDM4E (0.61) KDM4EGUSBALDH1A1MAPTHSD11B1
SCHEMBL17351216 0.73 TNF (0.42) KDM4ETNFNOD1GUSBALDH1A1
SCHEMBL3565865 0.73 TNF (0.57) KDM4ETNFNOD1GUSBALDH1A1
SCHEMBL11252204 0.70 DGAT1 (0.47) TNFNOD1GUSBALDH1A1HSD11B1
SCHEMBL29624840 0.70 AHR (0.64) KDM4EALDH1A1MAPTHSD11B1AHR
SCHEMBL464507 0.70 AHR (0.64) KDM4EALDH1A1MAPTHSD11B1AHR
SCHEMBL8186413 0.68 ALDH1A1 (0.38) HSD17B2TNFNOD1HSD17B1ALDH1A1
SCHEMBL6049622 0.67 TYMS (0.44) KDM4EGUSBALDH1A1MAPTMEN1
SCHEMBL8178007 0.66 CNR1 (0.40) TNFNOD1GUSBALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885885-B1 PYRIDONE DERIVATIVES AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2006-01-04 EP disclosed
US-6472348-B1 Pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2002-10-29 US disclosed
US-6265349-B1 Pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD (JP) 2001-07-24 US disclosed
US-6048823-A Pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2000-04-11 US disclosed
EP-0885885-A1 PYRIDONE DERIVATIVES AND HERBICIDES KumaiI Chemical Industry Co., Ltd. (JP) 1998-12-23 EP disclosed