SCHEMBL692376

SCHEMBL692376

O=C(O)C1=C(c2ccc(C(=O)O)s2)C(=O)N=N1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 2/20 0.45
POLB P06746 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
RPS6KB2 Q9UBS0 1/20 0.42
NPC1 O15118 1/20 0.41
GLA P06280 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGDS O60760 1/20 0.41
DAO P14920 2/20 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
SCHEMBL699451 0.82 HPGD (0.47) KDM4EALDH1A1GAAHPGDPOLB
SCHEMBL593023 0.73 MEN1 (0.65) KDM4EALDH1A1GAAHPGDPOLB
Hydrochloric Acid SCHEMBL9447525 0.71 MEN1 (0.63) KDM4EALDH1A1GAAHPGDPOLB
SCHEMBL2615879 0.71 MEN1 (0.63) KDM4EALDH1A1GAAHPGDPOLB
SCHEMBL2615881 0.71 MEN1 (0.63) KDM4EALDH1A1GAAHPGDPOLB
Hydrochloric Acid SCHEMBL9447603 0.69 MEN1 (0.61) KDM4EALDH1A1GAAHPGDPOLB
SCHEMBL692285 0.69 FGFR1 (0.43) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6487220 0.67 DAO (0.76) KDM4EALDH1A1GAAHPGDPOLB
SCHEMBL692332 0.67 TSHR (0.44) KDM4EALDH1A1HPGDRAB9AMKNK1
SCHEMBL22068905 0.66 POLB (0.68) KDM4EALDH1A1GAAHPGDPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421501-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND USE THEREOF The Procter & Gamble Company (US) 2012-02-29 EP claimed
WO-2010123863-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2010-10-28 WO claimed