SCHEMBL6264094

SCHEMBL6264094

COC(=O)c1sc(-c2cccc(N(C3CCNCC3)S(=O)(=O)c3ccc4ccccc4c3)c2)c(Br)c1OCC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 16/20 0.41
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
BCL2L1 Q07817 1/20 0.36
MCL1 Q07820 1/20 0.36
PTPN2 P17706 1/20 0.35

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
SCHEMBL3910215 0.93 PTPN1 (0.45) PTPN1PTPN2
SCHEMBL3909144 0.88 PTPN1 (0.45) PTPN1PTPN2
SCHEMBL6264720 0.86 PTPN1 (0.44) PTPN1PTPN2
SCHEMBL3907463 0.86 PTPN1 (0.43) PTPN1PTPN2
SCHEMBL6262345 0.86 PTPN1 (0.44) PTPN1PTPN2
SCHEMBL3916526 0.86 PTPN1 (0.44) PTPN1PTPN2
SCHEMBL6263343 0.85 PTPN1 (0.43) PTPN1PTPN2
SCHEMBL6265993 0.85 PTPN1 (0.43) PTPN1PTPN2
SCHEMBL6265089 0.84 PTPN1 (0.46) PTPN1PTPN2
SCHEMBL6263584 0.84 PTPN1 (0.58) 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