SCHEMBL693124

SCHEMBL693124

CC1=C(Cc2cccc(S(=O)(=O)O)c2)C(=O)N=N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CYP19A1 P11511 1/20 0.33
NPC1 O15118 1/20 0.33
TNF P01375 1/20 0.33
RAB9A P51151 1/20 0.33
NOD1 Q9Y239 1/20 0.33
SNCA P37840 1/20 0.32
NAPRT Q6XQN6 1/20 0.32
GAA P10253 2/20 0.32
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 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
SCHEMBL693267 0.82 LMNA (0.36) ALDH1A1TSHRTDP1SMN1; SMN2NPC1
SCHEMBL21726593 0.77 TSHR (0.55) ALDH1A1TSHRTDP1HSD17B10MRGPRX4
SCHEMBL9357557 0.73 TSHR (0.39) ALDH1A1TSHRTDP1HSD17B10MRGPRX4
SCHEMBL699069 0.72 TSHR (0.41) ALDH1A1TSHRTDP1HSD17B10SMN1; SMN2
SCHEMBL11291600 0.71 ALDH1A1 (0.40) ALDH1A1TSHRTDP1HSD17B10MRGPRX4
SCHEMBL693186 0.71 TSHR (0.40) ALDH1A1TSHRTDP1HSD17B10MRGPRX4
SCHEMBL331655 0.70 TSHR (0.52) ALDH1A1TSHRTDP1HSD17B10MRGPRX4
SCHEMBL29626454 0.70 TSHR (0.52) ALDH1A1TSHRTDP1HSD17B10MRGPRX4
SCHEMBL9698029 0.69 TSHR (0.47) ALDH1A1TSHRTDP1HSD17B10MRGPRX4
SCHEMBL18274793 0.69 TSHR (0.50) ALDH1A1TSHRTDP1HSD17B10MRGPRX4

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