SCHEMBL691571

SCHEMBL691571

O=C(O)C1=C(c2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2)C(=O)N=N1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ING2 Q9H160 1/20 0.30

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
SCHEMBL691310 0.84 POLB (0.39) LCKFYNKDM4EALDH1A1HPGD
SCHEMBL699242 0.78 LCK (0.51) LCKFYNSMN1; SMN2
SCHEMBL11515589 0.75 TSHR (0.40) LCKFYNALDH1A1HSD17B10TSHR
SCHEMBL692285 0.72 FGFR1 (0.43) KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL692305 0.69 CA12 (0.32) ALDH1A1
SCHEMBL10868449 0.68 ALDH1A1 (0.39) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL692670 0.66 NAPRT (0.34)
SCHEMBL219222 0.65 LCK (0.57) LCKFYNKDM4EALDH1A1HPGD
SCHEMBL691425 0.65 CA2 (0.38)
SCHEMBL698240 0.64 LCK (0.91) LCKFYNKDM4EALDH1A1HPGD

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