SCHEMBL6995078

SCHEMBL6995078

CC(=O)c1ccc2c(c1)C(=O)c1sc(C(C)=O)cc1C2=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.51
TTR P02766 4/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAOA P21397 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTPRC P08575 1/20 0.38
MAPK14 Q16539 1/20 0.38
TERT O14746 2/20 0.37
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
MAOB P27338 1/20 0.36
HSD17B1 P14061 1/20 0.36
CA2 P00918 1/20 0.35
ATM Q13315 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
SCHEMBL6000950 0.84 STAT3 (0.46) S100A4TTRNPC1RAB9AMAPT
SCHEMBL10947293 0.78 S100A4 (0.71) S100A4TTRNPC1RAB9AMAPT
SCHEMBL6995480 0.77 S100A4 (0.53) S100A4TTRNPC1RAB9AMAPT
SCHEMBL10881228 0.77 S100A4 (0.82) S100A4TTRNPC1RAB9AMAPT
SCHEMBL18384539 0.77 MAPK14 (0.48) MAPTALDH1A1MAOASMN1; SMN2MAPK14
SCHEMBL18384601 0.77 MAPK14 (0.48) MAPTALDH1A1MAOASMN1; SMN2MAPK14
SCHEMBL8014885 0.75 S100A4 (0.86) S100A4TTRNPC1RAB9AMAPT
SCHEMBL31268599 0.75 S100A4 (0.86) S100A4TTRNPC1RAB9AMAPT
SCHEMBL6992698 0.75 CES1 (0.46) MAPTALDH1A1PTPRCMAPK14
SCHEMBL6998703 0.74 CES1 (0.44) MAPTALDH1A1PTPRCMAPK14

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