SCHEMBL6265776

SCHEMBL6265776

COC(=O)c1sc(-c2cccc(N(C3CCNCC3)S(=O)(=O)Cc3cccc(Cl)c3Cl)c2)c(Br)c1OCC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 17/20 0.40
PTPN2 P17706 9/20 0.40
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 1/20 0.34
REN P00797 1/20 0.34

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
SCHEMBL6265103 0.92 PTPN1 (0.41) PTPN1PTPN2SLC6A2SLC6A4SLC6A3
SCHEMBL6533244 0.91 PTPN1 (0.49) PTPN1PTPN2
SCHEMBL6265089 0.91 PTPN1 (0.46) PTPN1PTPN2
SCHEMBL6266831 0.90 PTPN1 (0.42) PTPN1PTPN2
SCHEMBL6267752 0.90 PTPN1 (0.47) PTPN1PTPN2SLC6A2SLC6A4SLC6A3
SCHEMBL6263911 0.90 PTPN1 (0.40) PTPN1PTPN2
SCHEMBL6267048 0.90 PTPN1 (0.44) PTPN1PTPN2
SCHEMBL3909144 0.89 PTPN1 (0.45) PTPN1PTPN2
SCHEMBL6263822 0.89 PTPN1 (0.45) PTPN1PTPN2
SCHEMBL6262345 0.89 PTPN1 (0.44) 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