SCHEMBL7099112

SCHEMBL7099112

Cn1c(=O)n(Cc2ccccc2)c(=O)c2c(C(=O)OCCc3ccccn3)csc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.43
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
ADORA2B P29275 4/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL6258419 0.95 TRPA1 (0.42) TRPA1CHRM5CHRM1ERCC5FEN1
SCHEMBL6474542 0.89 ADORA2B (0.44) ERCC5FEN1MEN1KMT2AADORA2B
SCHEMBL6470623 0.85 ADORA2B (0.42) CHRM5CHRM1ERCC5FEN1MEN1
SCHEMBL6471149 0.84 LMNA (0.45) TRPA1CHRM5CHRM1ERCC5FEN1
SCHEMBL6470949 0.84 POLB (0.42) ERCC5FEN1MEN1KMT2AADORA2B
SCHEMBL6476499 0.84 MEN1 (0.40) ERCC5FEN1MEN1KMT2AADORA2B
SCHEMBL6472052 0.83 MEN1 (0.44) ERCC5FEN1MEN1KMT2AADORA2B
SCHEMBL6473393 0.83 TSHR (0.47) ERCC5FEN1MEN1KMT2APOLB
SCHEMBL6471284 0.83 MEN1 (0.46) ERCC5FEN1MEN1KMT2AADORA2B
SCHEMBL6254638 0.82 ADORA2B (0.46) TRPA1ERCC5FEN1MEN1KMT2A

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-1370562-A1 THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-17 EP disclosed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO disclosed