SCHEMBL7101979

SCHEMBL7101979

Cn1c(=O)n(Cc2ccccc2)c(=O)c2c(C(=O)OC3CCC4CCCC4C3)csc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37
SCN1A P35498 2/20 0.37
SCN2A Q99250 2/20 0.37
SCN3A Q9NY46 2/20 0.37
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 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 0.85 SCN1A (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6476984 0.84 HTR3E (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6471463 0.81 BCHE (0.46) CYP3A4CYP1A2ALDH1A1KDM4E
SCHEMBL6257579 0.81 DRD2 (0.41) MEN1KMT2AERCC5FEN1LMNA
SCHEMBL6730221 0.81 HTR3E (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7017390 0.79 DRD2 (0.42) MEN1KMT2AERCC5FEN1LMNA
SCHEMBL7106875 0.79 KMT2A (0.39) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7101392 0.79 CHRM2 (0.41) MEN1KMT2AERCC5FEN1LMNA
SCHEMBL6471284 0.77 MEN1 (0.46) MEN1KMT2AERCC5FEN1LMNA
SCHEMBL6255377 0.77 MEN1 (0.52) MEN1KMT2AERCC5FEN1LMNA

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