SCHEMBL6721139

SCHEMBL6721139

Nc1ccc(O)c2ccsc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.45
EP300 Q09472 2/20 0.45
KAT2B Q92831 2/20 0.45
KAT8 Q9H7Z6 2/20 0.45
HDAC3 O15379 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
NEK1 Q96PY6 6/20 0.41
DYRK1A Q13627 2/20 0.36
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
CSNK2A3 Q8NEV1 1/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
TERT O14746 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33

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
SCHEMBL11661739 0.81 IDO1 (0.39) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL24819185 0.74 DYRK1A (0.36) NEK1DYRK1ATHRBTERTCYP3A4
SCHEMBL14995532 0.74 DYRK1A (0.40) NEK1DYRK1ATERTCHEK1AURKA
SCHEMBL22122313 0.74 IDO1 (0.33) IDO1NEK1ALOX15
SCHEMBL911722 0.74 NEK1 (0.33) IDO1NEK1CSNK2A1
SCHEMBL3371199 0.69 CYP2A6 (0.47) IDO1HSP90AA1
SCHEMBL6233980 0.69 SELL (0.45) GAATHRBCYP3A4ALOX15HSD17B10
SCHEMBL3606665 0.69 NEK1 (0.34) IDO1NEK1DYRK1A
SCHEMBL21118239 0.68 ALDH1A1 (0.42) DYRK1ATERTHSD17B10DAPK3MAP4K4
SCHEMBL9638447 0.67 ADORA1 (0.40) GAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6673122-B1 CONTAINING OXIDIZER L'ORÉAL (FR) 2004-01-06 US claimed
EP-0861835-B1 Para-aminophenols containing compositions for dyeing of keratin fibres, dyeing process, para-aminophenols and a method for their preparation OREAL (FR) 2002-04-17 EP claimed
US-6203580-B1 OXIDATIVE DYEING L'OREAL (FR) 2001-03-20 US claimed
EP-0861835-A1 Para-aminophenols containing compositions for dyeing of keratin fibres, dyeing process, para-aminophenols and a method for their preparation L'OREAL (FR) 1998-09-02 EP claimed
US-6673122-B1 CONTAINING OXIDIZER L'ORÉAL (FR) 2004-01-06 US disclosed
EP-0861835-B1 Para-aminophenols containing compositions for dyeing of keratin fibres, dyeing process, para-aminophenols and a method for their preparation OREAL (FR) 2002-04-17 EP disclosed
US-6203580-B1 OXIDATIVE DYEING L'OREAL (FR) 2001-03-20 US disclosed
EP-0861835-A1 Para-aminophenols containing compositions for dyeing of keratin fibres, dyeing process, para-aminophenols and a method for their preparation L'OREAL (FR) 1998-09-02 EP disclosed