SCHEMBL7103030

SCHEMBL7103030

Cn1c(=O)n(CCS(=O)(=O)c2cccc(C(F)(F)F)c2)c(=O)c2cc(C(=O)O)sc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C19 P33261 3/20 0.37
RECQL P46063 1/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2D6 P10635 1/20 0.37
CMA1 P23946 1/20 0.36
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
PTGES O14684 1/20 0.35
PARG Q86W56 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL6724725 0.83 MAPT (0.45) MAPTGAARECQLALDH1A1HPGD
SCHEMBL6733097 0.82 MAPT (0.47) MAPTKMT2AGAAMEN1LMNA
SCHEMBL7103032 0.81 TRPC5 (0.37) POLBMAPTKMT2AGAAMEN1
SCHEMBL7035440 0.74 KDM4E (0.40) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL6256590 0.73 TP53 (0.47) CMA1PARGLMNAMMP1MMP13
SCHEMBL7105942 0.73 ADORA2B (0.48) POLBMAPTKMT2AGAAMEN1
SCHEMBL6254110 0.71 TRPA1 (0.48) KMT2AMEN1CYP3A4LMNAALDH1A1
SCHEMBL6255213 0.71 MAPT (0.50) MAPTLMNAALDH1A1HPGD
SCHEMBL7038274 0.70 HDAC1 (0.50) POLBMAPTCMA1LMNAALDH1A1
SCHEMBL6236463 0.70 MMP13 (0.40) MAPTKMT2AGAAMEN1PARG

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 claimed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed