SCHEMBL693185

SCHEMBL693185

CC1=C(c2cccc(S(=O)(=O)O)c2)N=NC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HSD17B10 Q99714 1/20 0.41
SYK P43405 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NAPRT Q6XQN6 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MYC P01106 1/20 0.34
WDR5 P61964 1/20 0.34
BRD4 O60885 3/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MAPT P10636 3/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
SENP3 Q9H4L4 2/20 0.32
SENP2 Q9HC62 2/20 0.32

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
SCHEMBL699069 0.79 TSHR (0.41) ALDH1A1TSHRTDP1HSD17B10SYK
SCHEMBL975190 0.74 TSHR (0.61) ALDH1A1TSHRTDP1HSD17B10SYK
SCHEMBL214204 0.73 L3MBTL1 (0.36) ALDH1A1TSHRBRD4MAOBMAPT
SCHEMBL5081851 0.72 TSHR (0.59) ALDH1A1TSHRTDP1HSD17B10SYK
SCHEMBL27903792 0.72 TSHR (0.59) ALDH1A1TSHRTDP1HSD17B10SMN1; SMN2
SCHEMBL1416443 0.72 TSHR (0.59) ALDH1A1TSHRTDP1HSD17B10SYK
SCHEMBL15509798 0.72 TSHR (0.59) ALDH1A1TSHRTDP1HSD17B10SYK
SCHEMBL755438 0.70 TSHR (0.53) ALDH1A1TSHRTDP1HSD17B10SYK
SCHEMBL4648550 0.70 ALDH1A1 (0.48) ALDH1A1TSHRTDP1HSD17B10SYK
SCHEMBL17791782 0.70 ALDH1A1 (0.44) ALDH1A1TSHRTDP1HSD17B10SYK

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