SCHEMBL6265103

SCHEMBL6265103

CCOC(=O)COc1c(C(=O)OC)sc(-c2cccc(N(C3CCNCC3)S(=O)(=O)Cc3cccc(Cl)c3Cl)c2)c1Br

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 18/20 0.41
PTPN2 P17706 10/20 0.41
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL6533244 0.92 PTPN1 (0.49) PTPN1PTPN2
SCHEMBL6265776 0.92 PTPN1 (0.40) PTPN1PTPN2SLC6A2SLC6A4SLC6A3
SCHEMBL6266854 0.90 PTPN1 (0.46) PTPN1PTPN2
SCHEMBL6263421 0.89 PTPN1 (0.49) PTPN1PTPN2
SCHEMBL6264921 0.89 PTPN1 (0.45) PTPN1PTPN2
SCHEMBL3912232 0.87 PTPN1 (0.46) PTPN1PTPN2
SCHEMBL6264927 0.86 PTPN1 (0.43) PTPN1PTPN2SLC6A2SLC6A4SLC6A3
SCHEMBL6263509 0.85 PTPN1 (0.56) PTPN1PTPN2
SCHEMBL6280774 0.85 PTPN1 (0.40) PTPN1PTPN2SLC6A2SLC6A4SLC6A3
SCHEMBL6264478 0.85 PTPN1 (0.54) 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