SCHEMBL21361326

SCHEMBL21361326

CCN(N)C(=O)c1ccc[nH]c1=S

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.53
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NAPRT Q6XQN6 1/20 0.35
GLS O94925 1/20 0.34
TP53 P04637 2/20 0.34
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
ABCC1 P33527 1/20 0.33
TSHR P16473 1/20 0.31
MAPK1 P28482 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
SCHEMBL9970782 0.84 MAPT (0.56) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL21361321 0.83 GAA (0.56) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL21361320 0.82 KDM4E (0.44) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL9970786 0.78 GAA (0.61) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL9937284 0.78 MAPT (0.49) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL9937465 0.78 MAPT (0.49) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL21812510 0.76 GAA (0.50) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL19017275 0.74 GAA (0.51) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL18985307 0.74 GAA (0.56) GAAMAPTKDM4EALDH1A1HTT
SCHEMBL9936056 0.73 GAA (0.54) GAAMAPTKDM4EALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3390363-B1 PROCESS FOR DEPIGMENTING KERATIN MATERIALS USING THIOPYRIDINONE COMPOUNDS OREAL (FR) 2019-09-18 EP disclosed