SCHEMBL6652278

SCHEMBL6652278

COc1ccc2sc3c(c2c1)OC(C)CNC3=O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 18/20 0.57
CDK1 P06493 16/20 0.57
PRKD1 Q15139 2/20 0.53
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6649916 0.78 MAPKAPK2 (0.65) MAPKAPK2CDK1PRKD1KDM4ENPC1
SCHEMBL6310787 0.77 MAPKAPK2 (0.82) MAPKAPK2CDK1PRKD1
SCHEMBL6320092 0.77 MAPKAPK2 (0.82) MAPKAPK2CDK1PRKD1
SCHEMBL6312607 0.77 MAPKAPK2 (0.82) MAPKAPK2CDK1PRKD1
SCHEMBL9920612 0.76 MAPKAPK2 (0.65) MAPKAPK2CDK1PRKD1KDM4ENPC1
SCHEMBL12264785 0.73 ABCB1 (0.48) MAPKAPK2KDM4ENPC1ALDH1A1MAPT
SCHEMBL6311137 0.72 MAPKAPK2 (1.00) MAPKAPK2CDK1
SCHEMBL6314208 0.72 MAPKAPK2 (1.00) MAPKAPK2CDK1
SCHEMBL6311690 0.72 MAPKAPK2 (1.00) MAPKAPK2CDK1
SCHEMBL6314186 0.72 MAPKAPK2 (0.64) MAPKAPK2CDK1PRKD1

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 21 patents — showing the first 20. 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 claimed
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 claimed
EP-0807015-B1 PREVENTION OF GROOVE TIP DEFORMATION IN BRIGHTNESS ENHANCEMENT FILM MINNESOTA MINING & MFG (US) 1999-08-25 EP claimed
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 claimed
US-5703069-A USING (THIA, OXA, OR DI)AZEPINONE COMPOUNDS WARNER-LAMBERT COMPANY (US) 1997-12-30 US claimed
US-5612330-A HERPES VIRUS WARNER-LAMBERT COMPANY (US) 1997-03-18 US claimed
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 claimed
US-5565446-A USEFUL IN TREATMENT OF INFLAMMATORY DISEASES WARNER-LAMBERT COMPANY (US) 1996-10-15 US claimed
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 claimed
US-5489586-A BENZOTHIOPHEN, BENZOFURAN AND INDOLE-THIAZEPINONES, OXAZEPINONES AND DIAZEPINONES WARNER-LAMBERT COMPANY (US) 1996-02-06 US claimed
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 claimed
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
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