SCHEMBL5314985

SCHEMBL5314985

CN(C(=O)Nc1ccc(SC(F)(F)F)cc1F)C(=O)c1c(F)cccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
KCNK2 O95069 6/20 0.37
BRAF P15056 1/20 0.36
KCNK10 P57789 4/20 0.35
RXFP1 Q9HBX9 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TRPV1 Q8NER1 3/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL5313986 0.85 HTT (0.36) HTTKCNK2BRAFKCNK10RXFP1
SCHEMBL4145160 0.82 RXFP1 (0.37) HTTKCNK2BRAFKCNK10RXFP1
SCHEMBL13774608 0.80 ALDH1A1 (0.34) HTTKCNK2BRAFKCNK10RXFP1
SCHEMBL4149970 0.80 RXFP1 (0.35) HTTKCNK2BRAFKCNK10RXFP1
SCHEMBL4154435 0.79 RORC (0.36) HTTTDP1LMNAMAPTTSHR
SCHEMBL4150571 0.78 BRAF (0.33) HTTKCNK2BRAFKCNK10RXFP1
SCHEMBL5311662 0.78 BRAF (0.33) HTTKCNK2BRAFRXFP1PPARG
SCHEMBL4141917 0.78 MEN1 (0.51) KCNK2BRAFKCNK10TRPV1MAPT
SCHEMBL4141961 0.78 PPARG (0.37) KCNK2BRAFKCNK10RXFP1TDP1
SCHEMBL3628210 0.76 HDAC1 (0.51) HTTKCNK2KCNK10ALDH1A1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007066496-A1 BENZOYLUREA COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-14 WO disclosed