SCHEMBL7023804

SCHEMBL7023804

Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C(=O)NCCc3ccncc3)sc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.54
POLB P06746 1/20 0.50
MAPT P10636 5/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.46
HSD17B10 Q99714 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 3/20 0.45
HPGD P15428 2/20 0.45
GFER P55789 1/20 0.45
KDR P35968 1/20 0.45
PLK1 P53350 1/20 0.45
MAPK1 P28482 1/20 0.44
BLM P54132 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ABL1 P00519 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL6258474 0.94 POLB (0.52) TRPA1POLBMAPTALDH1A1LMNA
SCHEMBL6916681 0.92 TRPA1 (0.46) TRPA1POLBMAPTALDH1A1HSD17B10
SCHEMBL7036764 0.90 TP53 (0.55) TRPA1POLBMAPTALDH1A1LMNA
SCHEMBL7037451 0.89 TRPA1 (0.54) TRPA1POLBMAPTALDH1A1LMNA
SCHEMBL7032494 0.87 CLK1 (0.53) POLBMAPTALDH1A1HSD17B10TP53
SCHEMBL7039218 0.85 POLB (0.55) POLBMAPTALDH1A1HSD17B10KDM4E
SCHEMBL7032109 0.84 MAPT (0.54) POLBMAPTALDH1A1TP53KDM4E
SCHEMBL6725010 0.84 TRPA1 (0.47) TRPA1HIF1A
SCHEMBL6245168 0.84 TRPA1 (0.62) TRPA1MAPTALDH1A1LMNAHSD17B10
SCHEMBL7019449 0.84 RXFP1 (0.64) POLBMAPTTP53

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