SCHEMBL6262153

SCHEMBL6262153

COc1ccccc1NC(=O)C(Nc1cccc(-c2sc(C(=O)O)c(OCC(=O)O)c2Br)c1)C1CCNCC1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 20/20 0.62
PTPN2 P17706 5/20 0.62

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
SCHEMBL3915059 0.92 PTPN1 (0.63) PTPN1PTPN2
SCHEMBL3911070 0.91 PTPN1 (0.64) PTPN1PTPN2
SCHEMBL3909019 0.91 PTPN1 (0.70) PTPN1PTPN2
SCHEMBL6264754 0.90 PTPN1 (0.61) PTPN1PTPN2
SCHEMBL6267149 0.90 PTPN1 (0.62) PTPN1PTPN2
SCHEMBL3909487 0.89 PTPN1 (0.64) PTPN1PTPN2
SCHEMBL6267903 0.88 PTPN1 (0.61) PTPN1PTPN2
SCHEMBL6265854 0.87 PTPN1 (0.48) PTPN1PTPN2
SCHEMBL6264570 0.87 PTPN1 (0.65) PTPN1PTPN2
SCHEMBL3911320 0.87 PTPN1 (0.65) PTPN1PTPN2

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-2005081954-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 WO disclosed