SCHEMBL5013907

SCHEMBL5013907

C=Cc1ccc(SC(F)(F)C(F)(F)S(=O)(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 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
SCHEMBL5015191 0.78 CA2 (0.38) TDP1ALDH1A1LMNATHRBKMT2A
SCHEMBL5013864 0.78 PTPN1 (0.38) ALDH1A1LMNATHRBKMT2A
SCHEMBL5017128 0.76 PTPN1 (0.37) ALDH1A1LMNATHRBKMT2A
SCHEMBL16626119 0.75 TDP1 (0.48) TDP1ALDH1A1KMT2A
SCHEMBL695549 0.73 ALDH1A1 (0.52) TDP1ALDH1A1LMNA
SCHEMBL677360 0.71 TDP1 (0.44) TDP1ALDH1A1
SCHEMBL2742163 0.71 TDP1 (0.53) TDP1ALDH1A1
SCHEMBL13048624 0.70 TDP1 (0.52) TDP1ALDH1A1KMT2A
4-Vinylphenol SCHEMBL27874479 0.70 TDP1 (0.52) TDP1ALDH1A1LMNATHRBKMT2A
SCHEMBL3992309 0.70 ALDH1A1 (0.38) ALDH1A1

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