SCHEMBL692305

SCHEMBL692305

O=C(O)C1=C(c2cc(Cl)c(S(=O)(=O)O)cc2Cl)C(=O)N=N1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CISD1 Q9NZ45 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 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
SCHEMBL692668 0.80 CA12 (0.31) CA12CA1CA2CA9
SCHEMBL691434 0.80 LMNA (0.39) MEN1ALDH1A1LMNAKMT2A
SCHEMBL11139940 0.74 ALDH1A1 (0.36) MEN1ALDH1A1LMNAKMT2A
SCHEMBL10868449 0.74 ALDH1A1 (0.39) MEN1ALDH1A1LMNAKMT2A
SCHEMBL691281 0.69 HSD17B10 (0.34) ALDH1A1KMT2A
SCHEMBL691571 0.69 LCK (0.42) ALDH1A1
SCHEMBL4565135 0.69 CA1 (0.39) CA12CA1CA2CA9CA3
SCHEMBL1992615 0.67 CA1 (0.38) CA12CA1CA2CA9CA3
SCHEMBL1989758 0.67 CA1 (0.38) CA12CA1CA2CA9CA3
SCHEMBL11849578 0.67 CA12 (0.59) CA12CA1CA2CA9CA3

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-2421501-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND USE THEREOF The Procter & Gamble Company (US) 2012-02-29 EP claimed
WO-2010123863-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2010-10-28 WO claimed
EP-2421501-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND USE THEREOF The Procter & Gamble Company (US) 2012-02-29 EP disclosed
WO-2010123863-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2010-10-28 WO disclosed