SCHEMBL8993528

SCHEMBL8993528

Cn1c(C(F)(F)F)cc(=O)n(-c2ccc(Cl)cc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
GSK3A P49840 2/20 0.43
GSK3B P49841 2/20 0.43
POLB P06746 1/20 0.42
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
ATM Q13315 1/20 0.37
MIF P14174 1/20 0.35
KMT2A Q03164 1/20 0.35
GSR P00390 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NOTUM Q6P988 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
SCHEMBL9114814 0.86 MCHR1 (0.47) SMN1; SMN2LMNAHTTALDH1A1MAPT
SCHEMBL7846203 0.85 GSK3A (0.37) GSK3AGSK3BHTTALDH1A1KMT2A
SCHEMBL8700806 0.85 GSK3A (0.37) GSK3AGSK3BHTTALDH1A1ALOX15
SCHEMBL7888772 0.85 GSK3A (0.40) GSK3AGSK3BLMNAALDH1A1KMT2A
SCHEMBL7887352 0.85 GSK3A (0.43) GSK3AGSK3BALDH1A1KMT2ATSHR
SCHEMBL13693064 0.83 PTGS1 (0.37) POLBMAPTNPSR1NOTUM
SCHEMBL7557543 0.82 GSK3A (0.46) SMN1; SMN2GSK3AGSK3BLMNAHTT
SCHEMBL31442410 0.82 COMT (0.37) SMN1; SMN2GSK3AGSK3BALDH1A1KMT2A
SCHEMBL7833205 0.82 MEN1 (0.41) GSK3AGSK3BHTTALDH1A1ALOX15
SCHEMBL7929163 0.82 NOTUM (0.33) GSK3AGSK3BMAPTNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5527764-A 3-arylthionouracils useful as herbicides, defoliants, and desiccants UNIROYAL CHEMICAL COMPANY, INC. (US) 1996-06-18 US disclosed
WO-1996008477-A1 3-ARYLTHIONOURACILS USEFUL AS HERBICIDES, DEFIOLANTS, AND DESICCANTS UNIROYAL CHEMICAL COMPANY, INC. (US) 1996-03-21 WO disclosed