SCHEMBL856880

SCHEMBL856880

COc1c(C)cccc1S(=O)(=O)Nc1cccnc1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.71
TP53 P04637 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
KMT2A Q03164 2/20 0.66
ALPL P05186 13/20 0.65
GAA P10253 2/20 0.60
LMNA P02545 1/20 0.57

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
SCHEMBL15212089 0.86 ALDH1A1 (0.76) ALDH1A1TP53TDP1KMT2AALPL
SCHEMBL31368924 0.83 ALDH1A1 (1.00) ALDH1A1TP53TDP1KMT2AALPL
SCHEMBL3448568 0.83 ALDH1A1 (1.00) ALDH1A1TP53TDP1KMT2AALPL
SCHEMBL644500 0.75 ALPL (1.00) ALDH1A1KMT2AALPLGAA
SCHEMBL16509562 0.75 ALPL (0.71) ALDH1A1KMT2AALPLGAA
SCHEMBL15220335 0.75 ALPL (1.00) ALDH1A1ALPLGAALMNA
SCHEMBL1404359 0.75 ALPL (1.00) ALDH1A1ALPLGAALMNA
SCHEMBL1050952 0.74 MEN1 (0.66) ALDH1A1TP53TDP1KMT2AALPL
SCHEMBL29498554 0.73 ALDH1A1 (0.65) ALDH1A1TP53TDP1KMT2AALPL
SCHEMBL13539338 0.73 ALPL (1.00) ALDH1A1ALPLGAA

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
EP-2433496-A1 Tissue non-specific alkaline phosphatase inhibitors and uses thereof for treating vascular calcification Burnham Institute for Medical Research (US) 2012-03-28 EP disclosed