SCHEMBL699451

SCHEMBL699451

CC1=C(c2ccc(C(=O)O)s2)C(=O)N=N1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
DAO P14920 1/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
POLB P06746 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.43
GLA P06280 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
RPS6KB2 Q9UBS0 1/20 0.41
HPGDS O60760 1/20 0.40
PKM P14618 1/20 0.39
LIG1 P18858 1/20 0.39

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
SCHEMBL692376 0.82 KDM4E (0.45) HPGDDAOKDM4EALDH1A1GAA
SCHEMBL6487220 0.73 DAO (0.76) HPGDDAOKDM4EALDH1A1GAA
SCHEMBL593023 0.72 MEN1 (0.65) HPGDDAOKDM4EALDH1A1GAA
SCHEMBL20370914 0.72 DAO (0.73) HPGDDAOKDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL9447525 0.70 MEN1 (0.63) HPGDDAOKDM4EALDH1A1GAA
SCHEMBL2615881 0.70 MEN1 (0.63) HPGDDAOKDM4EALDH1A1GAA
SCHEMBL2615879 0.70 MEN1 (0.63) HPGDDAOKDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL9447603 0.68 MEN1 (0.61) HPGDDAOKDM4EALDH1A1GAA
SCHEMBL695537 0.68 RXRA (0.46) HPGDKDM4EALDH1A1GAAPOLB
SCHEMBL3012845 0.67 KDM4E (0.61) HPGDDAOKDM4EALDH1A1GAA

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