SCHEMBL9054602

SCHEMBL9054602

CNCn1c(=S)[nH]cc(C(=O)O)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM3B Q7LBC6 1/20 0.39
CSNK2A1 P68400 2/20 0.33
PIM3 Q86V86 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 1/20 0.31
GAA P10253 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
PKM P14618 1/20 0.31
CCR6 P51684 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CYP1A2 P05177 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PTPN1 P18031 1/20 0.30
NOTUM Q6P988 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
SCHEMBL425896 0.84 SLC9A1 (0.35) KDM3BCSNK2A1PIM3CLK4KDM4E
SCHEMBL7547639 0.74 KDM3B (0.46) KDM3BCSNK2A1PIM3CLK4KDM4E
SCHEMBL10823654 0.69 PDE4A (0.38) KDM3BCSNK2A1PIM3CLK4KDM4E
SCHEMBL459138 0.67 KDM4E (0.38) KDM3BCSNK2A1PIM3CLK4KDM4E
SCHEMBL9054601 0.67 KDM3B (0.39) KDM3BKDM4EALDH1A1KMT2AMAPT
SCHEMBL4278697 0.66 MPO (0.34) KDM4EALDH1A1KMT2AMAPT
SCHEMBL10823648 0.66 B3GNT2 (0.46) KDM3BKDM4EALDH1A1KMT2ATDP1
SCHEMBL7586830 0.63 ALDH1A1 (0.42) KDM3BCSNK2A1PIM3CLK4KDM4E
SCHEMBL19812558 0.60 KDM4E (0.41) KDM3BCSNK2A1PIM3CLK4KDM4E
SCHEMBL15798472 0.60 NR4A2 (0.41) KDM4EALDH1A1HPGDGAA

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-1996008559-A1 GLYCOSAMINOGLYCAN-DEGRADING ENZYME INHIBITION AND RESULTANT DISEASE THERAPIES CARDIAC CRC NOMINEES PTY. LTD. (AU) 1996-03-21 WO disclosed