SCHEMBL6472082

SCHEMBL6472082

CC(C)CCOC(=O)c1csc2c1c(=O)n(Cc1ccccc1)c(=O)n2C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
PKM P14618 2/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 1/20 0.39
ADORA2B P29275 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
LGMN Q99538 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.37
LMNA P02545 2/20 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
SCHEMBL6476633 0.90 ALDH1A1 (0.43) ERCC5FEN1MEN1KMT2APOLB
SCHEMBL6474542 0.89 ADORA2B (0.44) ERCC5FEN1MEN1KMT2APOLB
SCHEMBL6473393 0.87 TSHR (0.47) ERCC5FEN1MEN1KMT2APOLB
SCHEMBL6470623 0.87 ADORA2B (0.42) ERCC5FEN1MEN1KMT2APOLB
SCHEMBL6471284 0.87 MEN1 (0.46) ERCC5FEN1MEN1KMT2APOLB
SCHEMBL6471776 0.86 TSHR (0.45) ERCC5FEN1MEN1KMT2APOLB
SCHEMBL6470949 0.86 POLB (0.42) ERCC5FEN1MEN1KMT2APOLB
SCHEMBL6472052 0.85 MEN1 (0.44) ERCC5FEN1MEN1KMT2APOLB
SCHEMBL7023571 0.85 ERCC5 (0.41) ERCC5FEN1MEN1KMT2APOLB
SCHEMBL7027372 0.85 ERCC5 (0.42) ERCC5FEN1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1530475-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
WO-2004006931-A2 PHARMACEUTICAL COMPOSTIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
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