SCHEMBL4635128

SCHEMBL4635128

O=C(O)Cc1ccc(NC2=NC(=O)C(=CCc3cccc(-n4cccc4)c3)S2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
NSD2 O96028 2/20 0.42
CTDSP1 Q9GZU7 2/20 0.42
GRK2 P25098 1/20 0.42
CASP6 P55212 1/20 0.42
AOC2 O75106 3/20 0.39
DUSP22 Q9NRW4 2/20 0.37
PDE4B Q07343 4/20 0.35
PDE4D Q08499 2/20 0.35
EGFR P00533 1/20 0.34
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
PTK2 Q05397 1/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 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
SCHEMBL4138118 0.86 NSD2 (0.43) POLBNSD2CTDSP1GRK2CASP6
SCHEMBL4138121 0.86 NSD2 (0.43) POLBNSD2CTDSP1GRK2CASP6
SCHEMBL4123871 0.81 POLB (0.51) POLBNSD2CTDSP1GRK2CASP6
SCHEMBL4123875 0.81 POLB (0.51) POLBNSD2CTDSP1GRK2CASP6
SCHEMBL4634791 0.80 FFAR1 (0.47) PDE4BPDE4DFFAR1
SCHEMBL4127967 0.77 CTDSP1 (0.42) POLBNSD2CTDSP1GRK2CASP6
SCHEMBL4127965 0.77 CTDSP1 (0.42) POLBNSD2CTDSP1GRK2CASP6
SCHEMBL4121787 0.76 NSD2 (0.37) POLBNSD2CTDSP1GRK2CASP6
SCHEMBL4121784 0.76 NSD2 (0.37) POLBNSD2CTDSP1GRK2CASP6
SCHEMBL4129359 0.75 MAPT (0.41) POLBNSD2CTDSP1GRK2DUSP22

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 claimed
WO-2007032028-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS TORRENT PHARMACEUTICALS LTD. (IN) 2007-03-22 WO claimed