SCHEMBL6995480

SCHEMBL6995480

CC(=O)c1ccc2c(c1)C(=O)c1sccc1C2=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.53
PTGS1 P23219 1/20 0.46
CES1 P23141 1/20 0.44
TTR P02766 3/20 0.44
PTPRC P08575 2/20 0.42
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAOA P21397 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TERT O14746 2/20 0.38
PABPC1 P11940 1/20 0.37
DNMT1 P26358 1/20 0.37
HTR7 P34969 1/20 0.37
HTR2B P41595 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL10947293 0.79 S100A4 (0.71) S100A4TTRPTPRCNPC1MAPT
SCHEMBL10881228 0.78 S100A4 (0.82) S100A4TTRPTPRCNPC1MAPT
SCHEMBL12050156 0.78 PTPRC (0.57) CES1TTRPTPRCMAPTKMT2A
SCHEMBL24573355 0.78 PTPRC (0.57) CES1TTRPTPRCMAPTKMT2A
SCHEMBL2481251 0.78 TTR (0.59) CES1TTRPTPRCMAPTKMT2A
SCHEMBL6995078 0.77 S100A4 (0.51) S100A4TTRPTPRCNPC1MAPT
SCHEMBL8014885 0.76 S100A4 (0.86) S100A4TTRPTPRCNPC1MAPT
SCHEMBL31268599 0.76 S100A4 (0.86) S100A4TTRPTPRCNPC1MAPT
SCHEMBL7001907 0.75 S100A4 (0.49) S100A4TTRPTPRCNPC1MAPT
SCHEMBL5820822 0.74 S100A4 (0.65) S100A4TTRPTPRCNPC1MAPT

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 11 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
EP-1093456-A2 NAPHTHO- AND DIHYDROBENZO-THIOPHENE DERIVATIVES AS CYTOTOXIC ANTITUMOR AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2001-04-25 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
WO-1999062909-A2 NAPHTHO- AND DIHYDROBENZO-THIOPHENE DERIVATIVES AS CYTOTOXIC ANTITUMOR AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-12-09 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