SCHEMBL7062880

SCHEMBL7062880

O=NOC(=S)Nc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
TAS2R38 P59533 3/20 0.52
HSD17B10 Q99714 2/20 0.52
TP53 P04637 2/20 0.52
TSHR P16473 2/20 0.52
TYR P14679 1/20 0.52
CYP3A4 P08684 1/20 0.50
HPGD P15428 2/20 0.49
GAA P10253 8/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
NOX1 Q9Y5S8 1/20 0.47
PHGDH O43175 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
EPHX1 P07099 2/20 0.45
EPHX2 P34913 1/20 0.45
CDK9 P50750 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45

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
SCHEMBL3082737 0.76 ALDH1A1 (0.61) ALDH1A1TAS2R38HSD17B10TP53TSHR
SCHEMBL3058150 0.74 ALDH1A1 (0.55) ALDH1A1TAS2R38HSD17B10TP53TSHR
SCHEMBL1615888 0.74 TAS2R38 (0.60) ALDH1A1TAS2R38HSD17B10TP53TSHR
SCHEMBL1615892 0.74 TAS2R38 (0.60) ALDH1A1TAS2R38HSD17B10TP53TSHR
SCHEMBL3064867 0.73 ALDH1A1 (0.59) ALDH1A1TAS2R38HSD17B10TP53TSHR
SCHEMBL6963209 0.73 ALDH1A1 (0.59) ALDH1A1TAS2R38HSD17B10TP53TSHR
Phenylthiourea SCHEMBL8377503 0.73 ALDH1A1 (0.79) ALDH1A1TAS2R38HSD17B10TP53TSHR
SCHEMBL28728362 0.72 ALDH1A1 (0.56) ALDH1A1TAS2R38HSD17B10TP53TSHR
SCHEMBL3067345 0.72 GAA (0.51) ALDH1A1TAS2R38HSD17B10TP53TSHR
SCHEMBL1006629 0.71 ALDH1A1 (0.54) ALDH1A1TAS2R38HSD17B10TP53TSHR

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
WO-2003031984-A2 METHOD FOR ANALYSING THE SEQUENCE OF POLYPEPTIDES CONSEQUENCE GMBH (DE) 2003-04-17 WO claimed
WO-2003031984-A2 METHOD FOR ANALYSING THE SEQUENCE OF POLYPEPTIDES CONSEQUENCE GMBH (DE) 2003-04-17 WO disclosed
EP-0884324-A3 Method for generating an anilinothiazolinone by treatment of a phenylthiocarbamyl amino acid with a Lewis acid in protein sequencing Beckman Coulter, Inc. (US) 1999-01-07 EP disclosed
EP-0884324-A2 Method for generating an anilinothiozolinone by treatment of a phenylthiocarbamyl amino acid with a Lewis acid in protein sequencing Beckman Coulter, Inc. (US) 1998-12-16 EP disclosed