SCHEMBL4056959

SCHEMBL4056959

CCCC(Oc1ccc(/C=C2/S/C(=N\c3ccc(CC(=O)O)cc3)N(C)C2=O)cc1)c1ccc(CC(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.54
AURKA O14965 9/20 0.47
DUSP26 Q9BV47 2/20 0.44
MGAM O43451 2/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
ITGB3 P05106 1/20 0.43
ITGAV P06756 1/20 0.43
AURKB Q96GD4 4/20 0.43
INCENP Q9NQS7 4/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4057740 1.00 PTPN1 (0.54) PTPN1AURKADUSP26MGAMCA12
SCHEMBL4050789 0.90 PTPN1 (0.58) PTPN1AURKADUSP26MGAMCA12
SCHEMBL4060687 0.85 PTPN1 (0.73) PTPN1AURKADUSP26MGAMCA12
SCHEMBL4060684 0.85 PTPN1 (0.73) PTPN1AURKADUSP26MGAMCA12
SCHEMBL4050794 0.83 PTPN1 (0.62) PTPN1AURKADUSP26MGAMCA12
SCHEMBL4053754 0.83 PTPN1 (0.68) PTPN1AURKADUSP26MGAMCA12
SCHEMBL4053753 0.83 PTPN1 (0.68) PTPN1AURKADUSP26MGAMCA12
SCHEMBL4056961 0.82 PTPN1 (0.60) PTPN1AURKADUSP26MGAMCA12
SCHEMBL4049524 0.80 PTPN1 (0.73) PTPN1AURKADUSP26MGAMCA12
SCHEMBL4049525 0.80 PTPN1 (0.73) PTPN1AURKADUSP26MGAMCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009109998-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO claimed
WO-2009109998-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO disclosed