SCHEMBL8594085

SCHEMBL8594085

O=C(O)CN1C(=O)C(=Cc2ccc(-c3ccc(Br)cc3)o2)SC1=S

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 7/20 0.78
PTPN22 Q9Y2R2 2/20 0.71
APEX1 P27695 1/20 0.69
MAPT P10636 1/20 0.69
HIF1AN Q9NWT6 1/20 0.66
STAT3 P40763 1/20 0.65

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
SCHEMBL13056331 1.00 MAP3K5 (0.78) MAP3K5PTPN22APEX1MAPTHIF1AN
SCHEMBL8594082 1.00 MAP3K5 (0.78) MAP3K5PTPN22APEX1MAPTHIF1AN
SCHEMBL3893480 0.90 PTPN22 (0.72) MAP3K5PTPN22APEX1MAPTHIF1AN
SCHEMBL16492645 0.90 PTPN22 (0.75) MAP3K5PTPN22APEX1MAPTHIF1AN
SCHEMBL3893475 0.90 PTPN22 (0.72) MAP3K5PTPN22APEX1MAPTHIF1AN
SCHEMBL13056366 0.90 MAPT (0.79) MAP3K5PTPN22APEX1MAPTHIF1AN
SCHEMBL3901648 0.90 MAP3K5 (0.89) MAP3K5PTPN22MAPTHIF1ANSTAT3
SCHEMBL8593141 0.90 MAP3K5 (0.89) MAP3K5PTPN22MAPTHIF1ANSTAT3
SCHEMBL3901649 0.90 MAP3K5 (0.89) MAP3K5PTPN22MAPTHIF1ANSTAT3
SCHEMBL13056328 0.89 HIF1AN (0.81) MAP3K5PTPN22APEX1MAPTHIF1AN

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-1998053790-A2 COMPOUNDS THAT INHIBIT THE BINDING OF VASCULAR ENDOTHELIAL GROWTH FACTOR TO ITS RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-12-03 WO disclosed