SCHEMBL693267

SCHEMBL693267

CC1=C(Cc2ccc(S(=O)(=O)O)cc2)C(=O)N=N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.36
ALDH1A1 P00352 5/20 0.35
TSHR P16473 2/20 0.35
NT5E P21589 1/20 0.35
CYP2D6 P10635 2/20 0.34
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
TDP1 Q9NUW8 3/20 0.34
KDM4E B2RXH2 3/20 0.34
MAPT P10636 3/20 0.34
HTT P42858 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
USP2 O75604 1/20 0.33
ADORA2A P29274 2/20 0.33
ADORA2B P29275 2/20 0.33
GAA P10253 2/20 0.32
HPGD P15428 2/20 0.32
NPC1 O15118 1/20 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
SCHEMBL693124 0.82 ALDH1A1 (0.38) LMNAALDH1A1TSHRPOLBSMN1; SMN2
SCHEMBL9619529 0.73 LMNA (0.56) LMNAALDH1A1TSHRNT5ECYP2D6
SCHEMBL692424 0.72 ADORA2B (0.40) LMNAALDH1A1TSHRNT5ECYP2D6
SCHEMBL6134088 0.72 CYP2C9 (0.50) LMNAALDH1A1TSHRNT5ECYP2D6
Hydrochloric Acid SCHEMBL7261261 0.71 LMNA (0.54) LMNAALDH1A1TSHRNT5ECYP2D6
SCHEMBL27909820 0.67 POLB (0.52) LMNAALDH1A1TSHRCYP2D6POLB
SCHEMBL28353192 0.67 TSHR (0.47) LMNAALDH1A1TSHRNT5ECYP2D6
SCHEMBL3151100 0.66 TSHR (0.62) LMNAALDH1A1TSHRNT5ECYP2D6
SCHEMBL1563242 0.66 CA2 (0.61) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL93796 0.66 CA2 (0.61) LMNAALDH1A1TSHRNT5ESMN1; SMN2

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