SCHEMBL13867918

SCHEMBL13867918

COC(=O)c1sc(Br)c(Br)c1OCC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 13/20 0.54
KMT2A Q03164 4/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTPRC P08575 3/20 0.34
PTPN2 P17706 3/20 0.34
MEN1 O00255 2/20 0.34
CYP1A2 P05177 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL3906716 0.88 PTPN1 (0.71) PTPN1KMT2AMAPTTSHRHSD17B10
SCHEMBL3911917 0.82 PTPN1 (0.49) PTPN1KMT2AMAPTTSHRHSD17B10
SCHEMBL3906530 0.81 PTPN1 (0.48) PTPN1KMT2AMAPTTSHRHSD17B10
SCHEMBL3908251 0.81 PTPN1 (0.48) PTPN1KMT2AMAPTTSHRHSD17B10
SCHEMBL2682770 0.80 MAPT (0.48) PTPN1KMT2AMAPTTSHRHSD17B10
SCHEMBL6278144 0.79 PTPN1 (0.46) PTPN1KMT2AMAPTTSHRGAA
SCHEMBL3908457 0.79 PTPN1 (0.46) PTPN1KMT2AMAPTTSHRHSD17B10
SCHEMBL3908464 0.79 PTPN1 (0.46) PTPN1KMT2AMAPTTSHRHSD17B10
SCHEMBL3909688 0.79 PTPN1 (0.46) PTPN1KMT2AMAPTTSHRGAA
SCHEMBL3906569 0.79 ALDH1A1 (0.49) PTPN1KMT2AMAPTTSHRHSD17B10

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
US-7521473-B2 Inhibitors of protein tyrosine phosphatase 1B WYETH (US) 2009-04-21 US disclosed