SCHEMBL6841900

SCHEMBL6841900

COc1ccc(C#Cc2ccccc2)cc1N1CC(=O)NS1(=O)=O

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.71
GRM5 P41594 5/20 0.38
PTPN2 P17706 1/20 0.38
GRM4 Q14833 1/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
DRD3 P35462 2/20 0.36
SRD5A1 P18405 1/20 0.36
HAO1 Q9UJM8 2/20 0.35

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
SCHEMBL17898476 0.83 PTPN1 (1.00) PTPN1PTPN2DRD2DRD4DRD3
SCHEMBL6685010 0.79 PTPN1 (0.67) PTPN1PTPN2
SCHEMBL6687346 0.78 PTPN1 (0.66) PTPN1PTPN2
SCHEMBL6687344 0.77 PTPN1 (0.65) PTPN1PTPN2
SCHEMBL6688145 0.76 PTPN1 (0.63) PTPN1PTPN2
SCHEMBL2937374 0.72 PTPN1 (0.52) PTPN1GRM5PTPN2
SCHEMBL1732384 0.72 PTPN1 (0.64) PTPN1PTPN2
SCHEMBL4643548 0.71 PTPN1 (0.45) PTPN1
SCHEMBL31285190 0.68 PTPN1 (0.41) PTPN1PTPN2GRM4
SCHEMBL3929924 0.68 PTPN1 (0.45) PTPN1

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
WO-2004041799-A1 5- (SUBSTITUTED PHENYL) -THIADIAZOLIDINE-3-ONES AND THEIR USE AS PTP1B ASTRAZENECA AB (SE) 2004-05-21 WO disclosed