SCHEMBL27784142

SCHEMBL27784142

Cc1cc(C)c(Cl)c(C(C)(C)C)c1.O=S(=O)(Cl)Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 7/20 0.42
CA2 P00918 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
TYR P14679 1/20 0.42
HTT P42858 1/20 0.38
CA1 P00915 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RAPGEF4 Q8WZA2 2/20 0.36
HSPA5 P11021 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSD17B2 P37059 1/20 0.35
CYP2C19 P33261 3/20 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
SCHEMBL20457051 0.90 SMN1; SMN2 (0.50) FFAR4CA2SMN1; SMN2ALDH1A1POLB
SCHEMBL31519169 0.79 ALDH1A1 (0.56) CA2SMN1; SMN2ALDH1A1POLBTYR
SCHEMBL25950739 0.73 ALOX15 (0.37) CA2SMN1; SMN2ALDH1A1POLBTYR
SCHEMBL17594503 0.73 POLB (0.44) CA2SMN1; SMN2ALDH1A1POLBTYR
SCHEMBL1039804 0.71 RAPGEF4 (0.50) FFAR4CA2SMN1; SMN2ALDH1A1POLB
SCHEMBL21514051 0.71 HSPA5 (0.48) CA2SMN1; SMN2ALDH1A1POLBTYR
SCHEMBL915779 0.70 CA1 (0.32) CA2SMN1; SMN2CA1MMP1MMP2
SCHEMBL2909254 0.70 SMN1; SMN2 (0.52) FFAR4CA2SMN1; SMN2ALDH1A1POLB
SCHEMBL1041159 0.69 SMN1; SMN2 (0.46) CA2SMN1; SMN2ALDH1A1POLBTYR
SCHEMBL8415616 0.69 ALOX15 (0.62) CA2SMN1; SMN2ALDH1A1POLBTYR

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
CN-101522611-B Substituted phenylsulfur trifluoride and other similar fluorinating agents UBE INDUSTRIES 2013-07-17 CN disclosed
CN-101522611-A Substituted phenylsulfur trifluoride and other similar fluorinating agents IM & T RES INC (US) 2009-09-02 CN disclosed