SCHEMBL17319561

SCHEMBL17319561

O=C(CN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1cccc(C(=O)O)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.71
▸ TDP1 Q9NUW8 5/20 0.71
▸ KMT2A Q03164 14/20 0.62
▸ MEN1 O00255 13/20 0.62
▸ PTPN12 Q05209 3/20 0.62
▸ GPR35 Q9HC97 3/20 0.62
▸ PTPN22 Q9Y2R2 3/20 0.62
▸ PTPN7 P35236 2/20 0.62
▸ GPR55 Q9Y2T6 2/20 0.62
▸ MAPK1 P28482 1/20 0.60
▸ POLB P06746 7/20 0.59
▸ CTDSP1 Q9GZU7 4/20 0.58
▸ BLM P54132 2/20 0.58
▸ KDM4E B2RXH2 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ GAA P10253 1/20 0.57
▸ DDX3X O00571 1/20 0.56
▸ NPC1 O15118 3/20 0.56
▸ APEX1 P27695 1/20 0.56
▸ RECQL P46063 1/20 0.56

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
SCHEMBL12008582 0.91 KMT2A (0.75) MAPTTDP1KMT2AMEN1PTPN12
SCHEMBL12008583 0.80 KMT2A (0.77) MAPTTDP1KMT2AMEN1PTPN12
SCHEMBL12008787 0.80 KMT2A (0.76) MAPTTDP1KMT2AMEN1PTPN12
SCHEMBL12008609 0.79 KMT2A (0.82) TDP1KMT2AMEN1PTPN12GPR35
SCHEMBL12008805 0.79 KMT2A (0.79) MAPTTDP1KMT2AMEN1PTPN12
SCHEMBL12008572 0.78 KMT2A (0.89) MAPTTDP1KMT2AMEN1PTPN12
SCHEMBL12008584 0.77 MEN1 (0.87) MAPTTDP1KMT2AMEN1PTPN12
SCHEMBL12008586 0.77 MEN1 (1.00) MAPTTDP1KMT2AMEN1PTPN12
SCHEMBL12008764 0.77 KMT2A (1.00) MAPTTDP1KMT2AMEN1PTPN12
SCHEMBL12008755 0.76 KMT2A (0.86) MAPTTDP1KMT2AMEN1PTPN12

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-9206412-B2 Thioxothiazolidine inhibitors COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2015-12-08 — — US disclosed
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