SCHEMBL7001907

SCHEMBL7001907

CC(=O)c1ccc2c(c1)C(=O)c1scc(C(C)=O)c1C2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.49
TTR P02766 5/20 0.40
MAPT P10636 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PTPRC P08575 2/20 0.36
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
HSD17B1 P14061 1/20 0.34
MAOA P21397 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
EIF4E P06730 1/20 0.34
POLB P06746 1/20 0.33
HSP90AA1 P07900 1/20 0.33
GAA P10253 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6997171 0.83 MAPT (0.42) S100A4TTRMAPTNPC1PTPRC
SCHEMBL6995480 0.75 S100A4 (0.53) S100A4TTRMAPTNPC1RAB9A
SCHEMBL7002916 0.72 MAPK14 (0.37) MAPTALDH1A1POLBGAAL3MBTL1
SCHEMBL6995484 0.72 MAPK14 (0.37) MAPTALDH1A1POLBGAAL3MBTL1
SCHEMBL10947293 0.72 S100A4 (0.71) S100A4TTRMAPTNPC1RAB9A
SCHEMBL5820822 0.71 S100A4 (0.65) S100A4TTRMAPTNPC1RAB9A
SCHEMBL10881228 0.71 S100A4 (0.82) S100A4TTRMAPTNPC1RAB9A
SCHEMBL6995078 0.71 S100A4 (0.51) S100A4TTRMAPTNPC1RAB9A
SCHEMBL8014885 0.70 S100A4 (0.86) S100A4TTRMAPTNPC1RAB9A
SCHEMBL6259661 0.70 S100A4 (0.93) S100A4TTRMAPTNPC1RAB9A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1093456-B1 NAPHTHO- AND DIHYDROBENZO-THIOPHENE DERIVATIVES AS CYTOTOXIC ANTITUMOR AGENTS UNIV NORTH CAROLINA (US) 2003-12-17 EP claimed
US-6174913-B1 TREATING TUMOR BY ADMINISTERING COMPOUNDS E.G.:2-ACETYL-NAPHTHO(2,3-B)THIOPHENE-4,9-DIONE; 2,7-DIACETYL-NAPHTHO(2,3-B)THIOPHENE-4,9-DIONE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2001-01-16 US claimed
WO-1999062909-A9 NAPHTHO- AND DIHYDROBENZO-THIOPHENE DERIVATIVES AS CYTOTOXIC ANTITUMOR AGENTS UNIV NORTH CAROLINA (US) 2000-04-27 WO claimed
EP-1093456-B1 NAPHTHO- AND DIHYDROBENZO-THIOPHENE DERIVATIVES AS CYTOTOXIC ANTITUMOR AGENTS UNIV NORTH CAROLINA (US) 2003-12-17 EP disclosed
US-6337346-B1 BENZODITHIOPHENE DERIVATIVES UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2002-01-08 US disclosed
EP-1093456-A2 NAPHTHO- AND DIHYDROBENZO-THIOPHENE DERIVATIVES AS CYTOTOXIC ANTITUMOR AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2001-04-25 EP disclosed
US-6174913-B1 TREATING TUMOR BY ADMINISTERING COMPOUNDS E.G.:2-ACETYL-NAPHTHO(2,3-B)THIOPHENE-4,9-DIONE; 2,7-DIACETYL-NAPHTHO(2,3-B)THIOPHENE-4,9-DIONE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2001-01-16 US disclosed
WO-1999062909-A9 NAPHTHO- AND DIHYDROBENZO-THIOPHENE DERIVATIVES AS CYTOTOXIC ANTITUMOR AGENTS UNIV NORTH CAROLINA (US) 2000-04-27 WO disclosed
WO-1999062909-A2 NAPHTHO- AND DIHYDROBENZO-THIOPHENE DERIVATIVES AS CYTOTOXIC ANTITUMOR AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-12-09 WO disclosed