SCHEMBL8665290

SCHEMBL8665290

CCOc1ccc(Oc2ccncn2)c(S(C)(=O)=O)c1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
BRAF P15056 1/20 0.33
KDR P35968 1/20 0.33
MAPK14 Q16539 1/20 0.33
TNNI3K Q59H18 1/20 0.33
SCN9A Q15858 1/20 0.32
CTSS P25774 2/20 0.31
CTSK P43235 2/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL8670005 0.88 SCN9A (0.35) HPGDBRAFKDRMAPK14TNNI3K
SCHEMBL8668648 0.87 KDR (0.34) BRAFKDRMAPK14TNNI3K
SCHEMBL8665228 0.86 BRAF (0.34) BRAFKDRMAPK14TNNI3K
SCHEMBL8665890 0.86 KDR (0.34) BRAFKDRMAPK14TNNI3K
SCHEMBL8666414 0.86 BRAF (0.34) BRAFKDRMAPK14TNNI3K
SCHEMBL8666832 0.85 BRAF (0.33) L3MBTL1BRAFKDRMAPK14TNNI3K
SCHEMBL8669895 0.85 BRAF (0.33) L3MBTL1BRAFKDRMAPK14TNNI3K
SCHEMBL8664741 0.79 HPGD (0.39) HPGDBRAFKDRMAPK14TNNI3K
SCHEMBL8669834 0.77 BRAF (0.39) POLBBRAFKDRMAPK14TNNI3K
SCHEMBL18374891 0.67 CYP1A2 (0.44) HPGDPOLBL3MBTL1CTSSCTSK

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
US-5723412-A HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-03-03 US disclosed