SCHEMBL7543900

SCHEMBL7543900

CCOC(=O)c1c[nH]c(=S)n(C)c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 3/20 0.48
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
CLEC4M Q9H2X3 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
GABRA1 P14867 2/20 0.43
GABRB2 P47870 2/20 0.43
TSHR P16473 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRA3 P34903 1/20 0.42
DPP4 P27487 1/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42

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
SCHEMBL6937497 0.84 ALDH1A1 (0.51) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL15798472 0.83 NR4A2 (0.41) ALDH1A1KDM4EGAAHPGDGABRA1
SCHEMBL23147548 0.76 TDP1 (0.50) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL29100443 0.76 ALDH1A1 (0.36) ALDH1A1KDM4EHSD17B10MAPK1
SCHEMBL28975325 0.75 MAPT (0.50) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL6272160 0.74 ALDH1A1 (0.60) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL4045529 0.72 TSHR (0.61) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL1810204 0.72 KMT2A (0.61) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL7439372 0.71 KMT2A (0.61) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL7546356 0.71 CYP1A2 (0.51) ALDH1A1GAAHPGDKMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0802194-B1 Novel thiouracil derivatives and metal surface-treating agent comprising thereof TOKUYAMA CORP (JP) 2002-06-19 EP disclosed
US-5795497-A Thiouracil derivatives and metal surface-treating agent comprising thereof TOKUYAMA CORPORATION (JP) 1998-08-18 US disclosed
EP-0802194-A2 Novel thiouracil derivatives and metal surface-treating agent comprising thereof TOKUYAMA CORPORATION (JP) 1997-10-22 EP disclosed