SCHEMBL7017390

SCHEMBL7017390

Cn1c(=O)n(Cc2ccccc2)c(=O)c2c(C(=O)OCC3CC3)csc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.42
DRD4 P21917 3/20 0.42
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL6257579 0.96 DRD2 (0.41) DRD2DRD4ERCC5FEN1MEN1
SCHEMBL7101392 0.95 CHRM2 (0.41) DRD2DRD4ERCC5FEN1MEN1
SCHEMBL6471284 0.87 MEN1 (0.46) ERCC5FEN1MEN1KMT2ALMNA
SCHEMBL6473589 0.86 CYP1A2 (0.46) ERCC5FEN1LMNAMAPTKDM4E
SCHEMBL6474542 0.85 ADORA2B (0.44) ERCC5FEN1MEN1KMT2AHPGD
SCHEMBL6472164 0.84 ERCC5 (0.43) ERCC5FEN1MEN1KMT2ALMNA
SCHEMBL6476633 0.84 ALDH1A1 (0.43) ERCC5FEN1MEN1KMT2ALMNA
SCHEMBL6470623 0.83 ADORA2B (0.42) ERCC5FEN1MEN1KMT2ALMNA
SCHEMBL6473393 0.83 TSHR (0.47) ERCC5FEN1MEN1KMT2ALMNA
SCHEMBL6473136 0.83 L3MBTL1 (0.48) ERCC5FEN1MEN1KMT2ALMNA

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