SCHEMBL6650554

SCHEMBL6650554

O=C1NCCOc2c1oc1cc(Cl)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.39
AHR P35869 3/20 0.37
F7 P08709 1/20 0.37
PARP1 P09874 1/20 0.37
F3 P13726 1/20 0.37
PARP10 Q53GL7 1/20 0.37
TTR P02766 1/20 0.37
CNR1 P21554 1/20 0.37
CDC25A P30304 1/20 0.36
CDC25C P30307 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
PRKD1 Q15139 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36

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
SCHEMBL6678399 0.92 ALPL (0.39) DAOTTRCNR1CDC25ACDC25C
SCHEMBL6318692 0.70 ADORA3 (0.44) AHRF7PARP1F3PARP10
SCHEMBL9051277 0.69 AHR (0.37) DAOAHRTTRCDC25ACDC25C
SCHEMBL3125131 0.67 FABP6 (0.67) F7PARP1F3PARP10ALDH1A1
SCHEMBL15525841 0.67 FABP6 (0.54) F7PARP1F3PARP10FABP6
SCHEMBL15842804 0.67 AHR (0.50) DAOAHRTTRCDC25ACDC25C
SCHEMBL29465920 0.64 TTR (0.71) DAOAHRTTRCDC25ACDC25C
SCHEMBL11728871 0.64 TTR (0.71) DAOAHRTTRCDC25ACDC25C
SCHEMBL5378213 0.63 TTR (0.51) DAOAHRTTRCDC25ACDC25C
SCHEMBL22737968 0.63 AHR (0.78) DAOAHRTTRCDC25ACDC25C

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 8 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 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-5612330-A HERPES VIRUS WARNER-LAMBERT COMPANY (US) 1997-03-18 US 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