SCHEMBL4635136

SCHEMBL4635136

Nc1ccc(-c2ccc(C=C3SC(Nc4ccc(C(C(=O)O)n5cccc5)cc4)=NC3=O)c(F)c2)cc1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.33
TDP1 Q9NUW8 4/20 0.33
MEN1 O00255 3/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 3/20 0.32
GFER P55789 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
RECQL P46063 2/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
SYK P43405 1/20 0.31
NSD2 O96028 1/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL4136975 0.93 MEN1 (0.33) KMT2ATDP1MEN1MAPTALDH1A1
SCHEMBL4136968 0.93 MEN1 (0.33) KMT2ATDP1MEN1MAPTALDH1A1
SCHEMBL4120885 0.74 HPGD (0.34) KMT2ATDP1MEN1HPGD
SCHEMBL4120886 0.74 HPGD (0.34) KMT2ATDP1MEN1HPGD
SCHEMBL4138228 0.73 TDP1 (0.32) KMT2ATDP1MEN1MAPTALDH1A1
SCHEMBL4138226 0.73 TDP1 (0.32) KMT2ATDP1MEN1MAPTALDH1A1
SCHEMBL4134027 0.71 CHEK1 (0.32) KMT2ATDP1MEN1HPGD
SCHEMBL4634371 0.69 TDP1 (0.35) KMT2ATDP1MEN1MAPTALDH1A1
Acetic Acid SCHEMBL4137467 0.68 MEN1 (0.38) KMT2ATDP1MEN1MAPTALDH1A1
Acetic Acid SCHEMBL4137474 0.68 MEN1 (0.38) KMT2ATDP1MEN1MAPTALDH1A1

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