SCHEMBL4634371

SCHEMBL4634371

COC(=O)c1cc(-c2ccc(C=C3SC(Nc4ccc(CCCCC(=O)O)c(F)c4)=NC3=O)c(F)c2)ccc1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
HPGD P15428 4/20 0.35
MCL1 Q07820 2/20 0.35
THRB P10828 1/20 0.35
ALOX5 P09917 2/20 0.32
CHEK1 O14757 1/20 0.31
DAPK3 O43293 1/20 0.31
PRKD3 O94806 1/20 0.31
PIM1 P11309 1/20 0.31
MAPK8 P45983 1/20 0.31
CSNK1A1 P48729 1/20 0.31
CDK8 P49336 1/20 0.31
CLK2 P49760 1/20 0.31
CDK9 P50750 1/20 0.31
CDK5 Q00535 1/20 0.31
DYRK1A Q13627 1/20 0.31
LRRK2 Q5S007 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31

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
SCHEMBL4120886 0.84 HPGD (0.34) TDP1MEN1KMT2AHPGDMCL1
SCHEMBL4120885 0.84 HPGD (0.34) TDP1MEN1KMT2AHPGDMCL1
SCHEMBL4138228 0.83 TDP1 (0.32) TDP1MEN1KMT2AHPGDMCL1
SCHEMBL4138226 0.83 TDP1 (0.32) TDP1MEN1KMT2AHPGDMCL1
SCHEMBL4136975 0.77 MEN1 (0.33) TDP1MEN1KMT2AHPGDMCL1
SCHEMBL4136968 0.77 MEN1 (0.33) TDP1MEN1KMT2AHPGDMCL1
SCHEMBL4138804 0.74 PTGS2 (0.32) HPGDALDH1A1KDM4EMAPT
SCHEMBL4775069 0.73 ALOX5 (0.35) MEN1KMT2AHPGDALOX5PTPN22
SCHEMBL4634772 0.70 EGFR (0.36) MEN1KMT2A
SCHEMBL4143537 0.69 HDAC1 (0.31)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934192-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS Torrent Pharmaceuticals Ltd (IN) 2008-06-25 EP disclosed
WO-2007032028-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS TORRENT PHARMACEUTICALS LTD. (IN) 2007-03-22 WO disclosed