SCHEMBL5015191

SCHEMBL5015191

O=S(=O)(O)C(F)(F)C(F)(F)Sc1ccc(Br)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.38
CA1 P00915 2/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
TERT O14746 1/20 0.35
KCNK2 O95069 2/20 0.34
KCNK10 P57789 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
BCL2 P10415 1/20 0.32
MCL1 Q07820 1/20 0.32
ALDH1A1 P00352 2/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL13036717 0.84 CA2 (0.39) CA2CA1CA5ACA9TERT
SCHEMBL13036716 0.82 CA2 (0.38) CA2CA1CA5ACA9TERT
SCHEMBL5013864 0.81 PTPN1 (0.38) CA2CA1CA5ACA9KCNK2
SCHEMBL5017128 0.80 PTPN1 (0.37) CA2CA1CA5ACA9KCNK2
SCHEMBL5013907 0.78 TDP1 (0.44) ALDH1A1LMNATHRBKMT2ATDP1
SCHEMBL1230237 0.74 CYP2A6 (0.38) CA2CA1CA5ACA9TERT
SCHEMBL1260200 0.74 CYP2A6 (0.38) CA2CA1CA5ACA9TERT
SCHEMBL14184901 0.73 PTGS1 (0.30)
SCHEMBL19599199 0.73 PTPN1 (0.32)
SCHEMBL13036718 0.71 TERT (0.35) CA2CA1CA5ACA9TERT

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-2008009815-A2 METHOD FOR PREPARING AROMATIC SULFONATES INSTITUT NATIONAL POLYTECHNIQUE DE GRENOBLE (FR) 2008-01-24 WO disclosed