SCHEMBL692944

SCHEMBL692944

CC1=C(c2ccc(O)c(S(=O)(=O)O)c2)C(=O)N=N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
EGFR P00533 1/20 0.33
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HPGDS O60760 1/20 0.32
MAPT P10636 1/20 0.32
NQO1 P15559 1/20 0.32
COMT P21964 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
MPL P40238 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
SCHEMBL692424 0.76 ADORA2B (0.40) LMNAHPGDHSD17B10MEN1KMT2A
SCHEMBL3242436 0.76 ENPP2 (0.38) HPGDHIF1AHSD17B10MEN1KMT2A
SCHEMBL1535883 0.75 HSD17B10 (0.52) LMNAHPGDHIF1AHSD17B10EGFR
SCHEMBL699069 0.75 TSHR (0.41) LMNAHSD17B10BRD4MAPTALDH1A1
Potassium SCHEMBL30364442 0.73 HSD17B10 (0.50) LMNAHPGDHIF1AHSD17B10EGFR
SCHEMBL28993725 0.73 HSD17B10 (0.50) LMNAHPGDHIF1AHSD17B10EGFR
SCHEMBL14126412 0.73 ESR2 (0.51) LMNAHPGDHIF1AHSD17B10EGFR
SCHEMBL699254 0.72
SCHEMBL19012209 0.71 PTGS2 (0.41) LMNAHPGDHIF1AHSD17B10EGFR
SCHEMBL11468785 0.71 MYC (0.39) HPGDMEN1KMT2AMAPTALDH1A1

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