SCHEMBL7101392

SCHEMBL7101392

Cn1c(=O)n(Cc2ccccc2)c(=O)c2c(C(=O)OCC3CCCCCC3)csc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
DRD2 P14416 3/20 0.40
DRD4 P21917 3/20 0.40
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
CHRNB2 P17787 3/20 0.39
CHRNB4 P30926 3/20 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 0.97 DRD2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7017390 0.95 DRD2 (0.42) DRD2DRD4MEN1KMT2ALMNA
SCHEMBL6473589 0.88 CYP1A2 (0.46) LMNAMAPTKDM4EHPGDALDH1A1
SCHEMBL6471284 0.84 MEN1 (0.46) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL6474542 0.82 ADORA2B (0.44) MEN1KMT2AHPGDALDH1A1CYP3A4
SCHEMBL6259138 0.82 SRC (0.48) CHRM2CHRM1MEN1KMT2ALMNA
SCHEMBL7097965 0.82 MEN1 (0.37) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL6476633 0.82 ALDH1A1 (0.43) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL6472164 0.82 ERCC5 (0.43) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL6470623 0.81 ADORA2B (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3

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