SCHEMBL692872

SCHEMBL692872

CC1=C(Cc2cc(S(=O)(=O)O)ccc2Cl)C(=O)N=N1.CC1=C(c2cc(Cl)c(S(=O)(=O)O)cc2Cl)C(=O)N=N1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
CASP6 P55212 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGDR2 Q9Y5Y4 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
SCHEMBL692668 0.82 CA12 (0.31)
SCHEMBL692607 0.81 CASR (0.31) PTGDR2
SCHEMBL11100878 0.78 ALDH1A1 (0.40) ALDH1A1MAPTCASP6KMT2A
SCHEMBL696837 0.72 ALDH1A1 (0.35) ALDH1A1MAPTCASP6KMT2A
SCHEMBL693267 0.67 LMNA (0.36) ALDH1A1MAPTKMT2A
SCHEMBL11468785 0.65 MYC (0.39) ALDH1A1MAPTCASP6KMT2A
SCHEMBL693124 0.65 ALDH1A1 (0.38) ALDH1A1MAPTPTGDR2
SCHEMBL692305 0.65 CA12 (0.32) ALDH1A1KMT2A
SCHEMBL10389334 0.65 ALDH1A1 (0.37) ALDH1A1MAPTCASP6KMT2A
SCHEMBL692424 0.62 ADORA2B (0.40) ALDH1A1MAPTKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421613-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF The Procter & Gamble Company (US) 2012-02-29 EP claimed
WO-2010123866-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2010-10-28 WO claimed
EP-2421613-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF The Procter & Gamble Company (US) 2012-02-29 EP disclosed
WO-2010123866-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2010-10-28 WO disclosed