SCHEMBL7106875

SCHEMBL7106875

Cn1c(=O)n(Cc2ccccc2)c(=O)c2c(C(=O)OC3CCCc4ccccc43)csc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.39
MEN1 O00255 10/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37
LMNA P02545 2/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL6472546 0.82 SCN1A (0.51) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL6471058 0.81 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL6476984 0.80 HTR3E (0.41) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL6257579 0.79 DRD2 (0.41) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL7101979 0.79 HTR3E (0.40) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL7017390 0.78 DRD2 (0.42) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL7101392 0.78 CHRM2 (0.41) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL6471463 0.77 BCHE (0.46) ALDH1A1KDM4ECYP3A4CYP1A2
SCHEMBL6471284 0.77 MEN1 (0.46) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL6255377 0.76 MEN1 (0.52) KMT2AMEN1ALDH1A1HPGDERCC5

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