SCHEMBL4057079

SCHEMBL4057079

CCc1ccc(COc2ccc(/C=C3\S/C(=N/c4ccc(CC(=O)O)cc4)N(C)C3=O)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.76
DUSP26 Q9BV47 3/20 0.62
AURKA O14965 9/20 0.61
AURKB Q96GD4 6/20 0.57
INCENP Q9NQS7 6/20 0.57
ACP1 P24666 3/20 0.56
PTPN2 P17706 1/20 0.55
POLB P06746 1/20 0.54
PTPN7 P35236 1/20 0.54
DUSP3 P51452 1/20 0.54
PTPN5 P54829 1/20 0.54
PTPN12 Q05209 1/20 0.54
PTPN11 Q06124 1/20 0.54
PTPN22 Q9Y2R2 1/20 0.54

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
SCHEMBL4057081 1.00 PTPN1 (0.76) PTPN1DUSP26AURKAAURKBINCENP
SCHEMBL4048414 0.92 PTPN1 (0.75) PTPN1DUSP26AURKAACP1PTPN2
SCHEMBL4053756 0.91 PTPN1 (0.72) PTPN1DUSP26AURKAAURKBINCENP
SCHEMBL4056644 0.91 PTPN1 (0.71) PTPN1DUSP26AURKAAURKBINCENP
SCHEMBL4060600 0.91 PTPN1 (0.71) PTPN1DUSP26AURKAAURKBINCENP
SCHEMBL4056648 0.91 PTPN1 (0.71) PTPN1DUSP26AURKAAURKBINCENP
SCHEMBL4060603 0.91 PTPN1 (0.71) PTPN1DUSP26AURKAAURKBINCENP
SCHEMBL4049524 0.90 PTPN1 (0.73) PTPN1DUSP26AURKAAURKBINCENP
SCHEMBL4060687 0.90 PTPN1 (0.73) PTPN1DUSP26AURKAAURKBINCENP
SCHEMBL4225045 0.90 PTPN1 (0.73) PTPN1DUSP26AURKAAURKBINCENP

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