SCHEMBL7570295

SCHEMBL7570295

O=S(=O)(NCCC(F)=C(F)F)c1ncc(Cl)s1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.30
HTT P42858 2/20 0.30
CSNK1A1 P48729 1/20 0.30
CSNK1D P48730 1/20 0.30
CSNK1E P49674 1/20 0.30
CSNK1G2 P78368 1/20 0.30
CSNK1G1 Q9HCP0 1/20 0.30
MEN1 O00255 2/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEP1B Q16820 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL22577464 0.81
SCHEMBL174908 0.78 MAPT (0.33) SMN1; SMN2
SCHEMBL22583786 0.70
SCHEMBL28931805 0.66 ALOX15 (0.35)
SCHEMBL2702752 0.64 ALOX15 (0.33)
SCHEMBL3477652 0.64 KDM4E (0.44)
SCHEMBL7018728 0.63
SCHEMBL22198844 0.63 APEX1 (0.39) KMT2AHTTMEN1TSHRCA1
SCHEMBL1548616 0.63 CA2 (0.39) CA1CA2
SCHEMBL1705637 0.61

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
EP-1200418-A1 NEMATICIDAL TRIFLUOROBUTENES NIHON BAYER AGROCHEM K.K. (JP) 2002-05-02 EP disclosed
WO-2001002378-A1 NEMATICIDAL TRIFLUOROBUTENES NIHON BAYER AGROCHEM K.K. (DE) 2001-01-11 WO disclosed