SCHEMBL21361323

SCHEMBL21361323

C=C(O)CN(C)C(=O)c1ccc[nH]c1=S

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
KMT2A Q03164 2/20 0.36
NAPRT Q6XQN6 1/20 0.36
HPGD P15428 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MEN1 O00255 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL18985307 0.88 GAA (0.56) GAAKDM4EMAPTALDH1A1HTT
SCHEMBL18985218 0.80 KDM4E (0.45) GAAKDM4EMAPTALDH1A1HTT
SCHEMBL19017275 0.79 GAA (0.51) GAAKDM4EMAPTALDH1A1HTT
SCHEMBL9970786 0.78 GAA (0.61) GAAKDM4EMAPTALDH1A1HTT
SCHEMBL9970782 0.74 MAPT (0.56) GAAKDM4EMAPTALDH1A1HTT
SCHEMBL21361321 0.74 GAA (0.56) GAAKDM4EMAPTALDH1A1HTT
SCHEMBL21361326 0.72 GAA (0.53) GAAKDM4EMAPTALDH1A1HTT
SCHEMBL9937465 0.71 MAPT (0.49) GAAKDM4EMAPTALDH1A1HTT
2-Mercaptonicotinic Acid SCHEMBL1289908 0.70 GAA (1.00) GAAKDM4EMAPTALDH1A1HTT
SCHEMBL9936056 0.70 GAA (0.54) GAAKDM4EMAPTALDH1A1HTT

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