SCHEMBL6653351

SCHEMBL6653351

COC(=O)c1sc2ccc(OC)cc2c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.58
TDP1 Q9NUW8 3/20 0.58
UBE2N P61088 1/20 0.54
BACE1 P56817 1/20 0.52
ICAM1 P05362 2/20 0.51
SELE P16581 2/20 0.51
ATM Q13315 3/20 0.51
TLR9 Q9NR96 1/20 0.51
MAOB P27338 1/20 0.50
VCAM1 P19320 1/20 0.50
LMNA P02545 2/20 0.49
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
GAA P10253 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL15910659 0.84 L3MBTL1 (0.58) L3MBTL1TDP1UBE2NBACE1ICAM1
SCHEMBL6656891 0.84 MAPK1 (0.58) L3MBTL1TDP1UBE2NBACE1ICAM1
SCHEMBL17149272 0.84 MAPK1 (0.49) L3MBTL1TDP1BACE1ATMMAOB
SCHEMBL10481468 0.83 LMNA (0.48) ATMMAOBLMNAMAPK1KDM4E
SCHEMBL16395952 0.83 KDM4E (0.54) L3MBTL1TDP1UBE2NICAM1SELE
SCHEMBL31078753 0.83 LMNA (0.48) L3MBTL1TDP1ATMLMNAMAPK1
SCHEMBL31078755 0.81 MAPK1 (0.46) L3MBTL1TDP1UBE2NATMMAOB
SCHEMBL10741948 0.80 MAPT (0.51) L3MBTL1TDP1ATMLMNAMAPK1
SCHEMBL17135411 0.80 MAPK1 (0.44) L3MBTL1TDP1UBE2NATMTLR9
SCHEMBL5214310 0.79 L3MBTL1 (0.53) L3MBTL1ATMMAOBLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0817635-B1 USE OF THIAZEPINE, OXAZEPINE AND DIAZEPINE COUMPOUNDS FOR INHIBITING HIV, HERPESVIRUS AND SUPPRESSING THE IMMUNE SYSTEM WARNER LAMBERT CO (US) 2004-06-16 EP disclosed
EP-0749434-B1 BENZOTHIOPHENE, BENZOFURAN AND INDOLETHIAZEPINONES, OXAZEPINONES AND DIAZEPINONES AS INHIBITORS OF CELL ADHESION AND AS INHIBITORS OF HIV WARNER LAMBERT CO (US) 1999-12-15 EP disclosed
EP-0817635-A1 USE OF THIAZEPINE, OXAZEPINE AND DIAZEPINE COUMPOUNDS FOR INHIBITING HIV, HERPESVIRUS AND SUPPRESSING THE IMMUNE SYSTEM WARNER-LAMBERT COMPANY LLC (US) 1998-01-14 EP disclosed
US-5703069-A USING (THIA, OXA, OR DI)AZEPINONE COMPOUNDS WARNER-LAMBERT COMPANY (US) 1997-12-30 US disclosed
US-5612330-A HERPES VIRUS WARNER-LAMBERT COMPANY (US) 1997-03-18 US disclosed
EP-0749434-A1 BENZOTHIOPHENE, BENZOFURAN AND INDOLETHIAZEPINONES, OXAZEPINONES AND DIAZEPINONES AS INHIBITORS OF CELL ADHESION AND AS INHIBITORS OF HIV WARNER-LAMBERT COMPANY (US) 1996-12-27 EP disclosed
US-5565446-A USEFUL IN TREATMENT OF INFLAMMATORY DISEASES WARNER-LAMBERT COMPANY (US) 1996-10-15 US disclosed
WO-1996029077-A1 USE OF THIAZEPINE, OXAZEPINE AND DIAZEPINE COUMPOUNDS FOR INHIBITING HIV, HERPESVIRUS AND SUPPRESSING THE IMMUNE SYSTEM WARNER-LAMBERT COMPANY (US) 1996-09-26 WO disclosed
US-5489586-A BENZOTHIOPHEN, BENZOFURAN AND INDOLE-THIAZEPINONES, OXAZEPINONES AND DIAZEPINONES WARNER-LAMBERT COMPANY (US) 1996-02-06 US disclosed
WO-1995024408-A1 BENZOTHIOPHENE, BENZOFURAN AND INDOLETHIAZEPINONES, OXAZEPINONES AND DIAZEPINONES AS INHIBITORS OF CELL ADHESION AND AS INHIBITORS OF HIV WARNER-LAMBERT COMPANY (US) 1995-09-14 WO disclosed