SCHEMBL5804247

SCHEMBL5804247

O=C(CS)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.69
KCNJ5 P48544 1/20 0.65
KCNJ3 P48549 1/20 0.65
PDK1 Q15118 1/20 0.62
TRPV1 Q8NER1 2/20 0.58
LMNA P02545 6/20 0.57
MAPT P10636 5/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 2/20 0.57
HTT P42858 2/20 0.57
POLB P06746 1/20 0.57
HPGD P15428 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
TP53 P04637 2/20 0.56
GAA P10253 2/20 0.56
THRB P10828 1/20 0.56
GRM4 Q14833 1/20 0.56

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
SCHEMBL26546756 0.89 KDR (0.76) KDRKCNJ5KCNJ3PDK1TRPV1
SCHEMBL4443052 0.86 KDR (0.71) KDRKCNJ5KCNJ3PDK1TRPV1
SCHEMBL13004812 0.86 KDR (0.71) KDRKCNJ5KCNJ3PDK1TRPV1
SCHEMBL28884494 0.85 KDR (0.69) KDRKCNJ5KCNJ3PDK1TRPV1
SCHEMBL14422910 0.85 KDR (0.69) KDRKCNJ5KCNJ3PDK1TRPV1
SCHEMBL5804246 0.85 KDR (0.69) KDRKCNJ5KCNJ3PDK1TRPV1
SCHEMBL2600217 0.85 KDR (0.69) KDRKCNJ5KCNJ3PDK1LMNA
SCHEMBL29476070 0.84 KDR (0.68) KDRKCNJ5KCNJ3PDK1LMNA
SCHEMBL28520609 0.84 KDR (0.68) KDRKCNJ5KCNJ3PDK1TRPV1
SCHEMBL2350751 0.84 KDR (0.68) KDRKCNJ5KCNJ3PDK1LMNA

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-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 WO disclosed