SCHEMBL4056775

SCHEMBL4056775

CN1C(=O)/C(=C/c2ccc(OCc3ccc(C4CCCCC4)cc3)cc2)S/C1=N/c1ccc(CC(=O)O)c(F)c1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.81
DUSP26 Q9BV47 3/20 0.58
ACP1 P24666 4/20 0.44
PTPN2 P17706 2/20 0.44
NPC1 O15118 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGAV P06756 1/20 0.40
AURKA O14965 3/20 0.40
AURKB Q96GD4 2/20 0.40
INCENP Q9NQS7 2/20 0.40

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
SCHEMBL4056778 1.00 PTPN1 (0.81) PTPN1DUSP26ACP1PTPN2NPC1
SCHEMBL4049740 0.87 PTPN1 (0.61) PTPN1DUSP26ITGB3ITGAVAURKA
SCHEMBL4049736 0.87 PTPN1 (0.61) PTPN1DUSP26ITGB3ITGAVAURKA
SCHEMBL4051102 0.86 DUSP26 (0.61) PTPN1DUSP26ACP1PTPN2NPC1
SCHEMBL4058782 0.86 DUSP26 (0.61) PTPN1DUSP26ACP1PTPN2NPC1
SCHEMBL4051099 0.86 DUSP26 (0.61) PTPN1DUSP26ACP1PTPN2NPC1
SCHEMBL4058785 0.86 DUSP26 (0.61) PTPN1DUSP26ACP1PTPN2NPC1
SCHEMBL4051528 0.84 PTPN1 (0.78) PTPN1DUSP26ACP1PTPN2ITGB3
SCHEMBL4051524 0.84 PTPN1 (0.78) PTPN1DUSP26ACP1PTPN2ITGB3
SCHEMBL4056339 0.84 PTPN1 (0.83) PTPN1DUSP26ACP1PTPN2NPC1

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