SCHEMBL699242

SCHEMBL699242

CC1=C(c2cc(C(=O)O)cc(S(=O)(=O)O)c2)C(=O)N=N1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.51
FYN P06241 1/20 0.51
LOXL2 Q9Y4K0 9/20 0.33
CYP1A2 P05177 1/20 0.33
HCAR1 Q9BXC0 1/20 0.33
TPMT P51580 1/20 0.33
LOX P28300 1/20 0.31
PKM P14618 1/20 0.31
NOTUM Q6P988 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL691571 0.78 LCK (0.42) LCKFYNSMN1; SMN2
SCHEMBL4965070 0.77 LCK (0.79) LCKFYNLOXL2CYP1A2TPMT
SCHEMBL692670 0.75 NAPRT (0.34)
SCHEMBL692424 0.74 ADORA2B (0.40) SMN1; SMN2
SCHEMBL15748027 0.74 LCK (0.68) LCKFYNLOXL2CYP1A2LOX
SCHEMBL695537 0.72 RXRA (0.46) TPMTSMN1; SMN2
SCHEMBL31031074 0.71 LCK (1.00) LCKFYNCYP1A2TPMTSMN1; SMN2
SCHEMBL698240 0.71 LCK (0.91) LCKFYNCYP1A2TPMTSMN1; SMN2
SCHEMBL63440 0.71 LCK (1.00) LCKFYNCYP1A2TPMTSMN1; SMN2
SCHEMBL6552532 0.70 LCK (0.73) LCKFYNCYP1A2HCAR1TPMT

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