SCHEMBL4052850

SCHEMBL4052850

CCOC(=O)C(=O)Nc1ccc(N=C2SC(=Cc3ccc(OCc4ccc(C5CCCCC5)cc4)cc3)C(=O)N2C)cc1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.73
DUSP26 Q9BV47 3/20 0.48
ACP1 P24666 3/20 0.43
PTPN2 P17706 1/20 0.43
ALDH1A1 P00352 1/20 0.43
AURKA O14965 7/20 0.42
ITGB3 P05106 1/20 0.42
ITGAV P06756 1/20 0.42
AURKB Q96GD4 5/20 0.41
INCENP Q9NQS7 5/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
KMT2A Q03164 1/20 0.41
PTPN11 Q06124 1/20 0.41
CTDSP1 Q9GZU7 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
SCHEMBL4052846 1.00 PTPN1 (0.73) PTPN1DUSP26ACP1PTPN2ALDH1A1
SCHEMBL13689587 0.92 PTPN1 (0.80) PTPN1DUSP26ACP1PTPN2AURKA
SCHEMBL4053602 0.92 PTPN1 (0.80) PTPN1DUSP26ACP1PTPN2AURKA
SCHEMBL4053603 0.92 PTPN1 (0.80) PTPN1DUSP26ACP1PTPN2AURKA
SCHEMBL4050774 0.86 PTPN1 (0.76) PTPN1DUSP26ACP1PTPN2AURKA
SCHEMBL4053519 0.85 PTPN1 (0.74) PTPN1DUSP26ACP1PTPN2AURKA
SCHEMBL4056109 0.85 PTPN1 (0.83) PTPN1DUSP26ACP1PTPN2AURKA
SCHEMBL4056110 0.85 PTPN1 (0.83) PTPN1DUSP26ACP1PTPN2AURKA
SCHEMBL4053688 0.84 PTPN1 (0.81) PTPN1DUSP26ACP1PTPN2AURKA
SCHEMBL4053691 0.84 PTPN1 (0.81) PTPN1DUSP26ACP1PTPN2AURKA

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