SCHEMBL7027372

SCHEMBL7027372

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.39
LGMN Q99538 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL6259891 0.89 MEN1 (0.44) ERCC5FEN1KMT2AMEN1SMN1; SMN2
SCHEMBL6471794 0.88 SCN1A (0.46) ERCC5FEN1KMT2AMEN1SMN1; SMN2
SCHEMBL6476633 0.87 ALDH1A1 (0.43) ERCC5FEN1KMT2AMEN1SMN1; SMN2
SCHEMBL6465721 0.85 ERCC5 (0.41) ERCC5FEN1KMT2AMEN1SMN1; SMN2
SCHEMBL6472082 0.85 ERCC5 (0.41) ERCC5FEN1KMT2AMEN1SMN1; SMN2
SCHEMBL6471284 0.83 MEN1 (0.46) ERCC5FEN1KMT2AMEN1SMN1; SMN2
SCHEMBL6255377 0.83 MEN1 (0.52) ERCC5FEN1KMT2AMEN1SMN1; SMN2
SCHEMBL6474542 0.82 ADORA2B (0.44) ERCC5FEN1KMT2AMEN1SMN1; SMN2
SCHEMBL6473171 0.81 MEN1 (0.41) ERCC5FEN1KMT2AMEN1SMN1; SMN2
SCHEMBL6472164 0.81 ERCC5 (0.43) ERCC5FEN1KMT2AMEN1SMN1; SMN2

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