SCHEMBL7544947

SCHEMBL7544947

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 2/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
HPGD P15428 3/20 0.44
KMT2A Q03164 3/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
MAPK10 P53779 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.41
MC4R P32245 1/20 0.41
KDM5A P29375 1/20 0.40
KDM5B Q9UGL1 1/20 0.40

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
SCHEMBL7552902 0.80 L3MBTL1 (0.40) ALDH1A1KDM4ECYP2C19L3MBTL1KMT2A
SCHEMBL1659952 0.76 CYP1A2 (0.49) ALDH1A1KDM4ECYP1A2CYP2C19L3MBTL1
SCHEMBL7552573 0.75 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDKMT2AGAA
SCHEMBL11647887 0.74 HPGD (0.53) ALDH1A1KDM4ECYP1A2CYP2C19HPGD
SCHEMBL7544489 0.73 CYP1A2 (0.56) ALDH1A1CYP1A2CYP2C19L3MBTL1HPGD
SCHEMBL11648816 0.73 HPGD (0.56) ALDH1A1KDM4ECYP1A2CYP2C19L3MBTL1
SCHEMBL5188877 0.72 CYP1A2 (0.60) ALDH1A1KDM4ECYP1A2CYP2C19L3MBTL1
SCHEMBL11733305 0.71 L3MBTL1 (0.63) ALDH1A1KDM4ECYP2C19L3MBTL1KMT2A
SCHEMBL11646460 0.69 HPGD (0.66) ALDH1A1KDM4ECYP1A2CYP2C19HPGD
SCHEMBL8545504 0.69 HPGD (0.56) ALDH1A1KDM4ECYP1A2CYP2C19L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0896043-B1 Adhesive TOKUYAMA CORP (JP) 2002-10-23 EP disclosed
EP-0802194-B1 Novel thiouracil derivatives and metal surface-treating agent comprising thereof TOKUYAMA CORP (JP) 2002-06-19 EP disclosed
US-6133338-A TYPIFIED BY 6-METHACRYLOYLOXYHEXYL 2-THIOURACIL-5-CARBOXYLATE, A RADICAL-POLYMERIZABLE MONOMER, AND A POLYMERIZATION INITIATOR; DENTAL ADHESIVE; GOOD ADHESIVENESS TO NOBLE METALS AND ALLOYS THEREOF TOKUYAMA CORPORATION (JP) 2000-10-17 US disclosed
EP-0896043-A1 Adhesive TOKUYAMA CORPORATION (JP) 1999-02-10 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