SCHEMBL7103032

SCHEMBL7103032

Cn1c(=O)n(CCS(=O)(=O)c2ccc(Cl)cc2)c(=O)c2cc(C(=O)O)sc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 3/20 0.37
ALDH1A1 P00352 7/20 0.37
HSP90AA1 P07900 1/20 0.37
GAA P10253 2/20 0.36
POLB P06746 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
ATM Q13315 1/20 0.35
PARG Q86W56 1/20 0.34
HSD11B1 P28845 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL6236463 0.86 MMP13 (0.40) ALDH1A1GAAKMT2AMEN1MAPT
SCHEMBL6233542 0.81 MAPT (0.56) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL7103030 0.81 POLB (0.42) ALDH1A1GAAPOLBKMT2AMEN1
SCHEMBL6239791 0.79 MAPT (0.48) ALDH1A1GAAMAPTLMNAHPGD
SCHEMBL7018890 0.78 TRPA1 (0.52) ALDH1A1HSP90AA1GAAKMT2AATM
SCHEMBL7021108 0.77 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL7035440 0.76 KDM4E (0.40) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL6254110 0.75 TRPA1 (0.48) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL7105942 0.75 ADORA2B (0.48) ALDH1A1GAAPOLBKMT2AMEN1
SCHEMBL7105492 0.74 HDAC8 (0.47) ALDH1A1GAAPOLBKMT2AMEN1

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