SCHEMBL7545210

SCHEMBL7545210

O=C(O)c1c(-c2ccccc2)[nH]c(=S)[nH]c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
TSHR P16473 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
SIRT3 Q9NTG7 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47
SMPD3 Q9NY59 1/20 0.47
ACMSD Q8TDX5 1/20 0.47
KDM4E B2RXH2 5/20 0.46
TDP1 Q9NUW8 1/20 0.46
XDH P47989 2/20 0.44
GAA P10253 2/20 0.44
PLA2G10 O15496 1/20 0.44

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
SCHEMBL22372657 0.86 ACMSD (0.48) HSD17B10ALDH1A1HPGDTSHRCYP1A2
SCHEMBL7552573 0.79 ALDH1A1 (0.53) HSD17B10ALDH1A1HPGDKDM4ETDP1
SCHEMBL7090889 0.78 HSD17B10 (0.66) HSD17B10ALDH1A1HPGDTSHRCYP1A2
SCHEMBL11740275 0.76 ALDH1A1 (0.59) HSD17B10ALDH1A1HPGDTSHRCYP1A2
SCHEMBL7213442 0.76 HSD17B10 (0.50) HSD17B10ALDH1A1HPGDTSHRCYP1A2
SCHEMBL7038229 0.76 ALDH1A1 (0.56) HSD17B10ALDH1A1HPGDTSHRCYP1A2
SCHEMBL11736095 0.72 ALDH1A1 (0.46) HSD17B10ALDH1A1HPGDTSHRCYP1A2
SCHEMBL6300081 0.72 SIRT1 (0.54) HSD17B10ALDH1A1HPGDTSHRCYP1A2
SCHEMBL17550131 0.72 POLB (0.72) HSD17B10ALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL19953793 0.71 KDM4E (0.48) HSD17B10ALDH1A1HPGDTSHRKDM4E

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