SCHEMBL8045532

SCHEMBL8045532

NC1=NC(c2nccs2)Cc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 18/20 1.00
NOS2 P35228 15/20 1.00

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
Hydrochloric Acid SCHEMBL8090898 0.99 NOS3 (0.97) NOS3NOS2
SCHEMBL28176111 0.80 NOS3 (0.67) NOS3NOS2
SCHEMBL8061009 0.79 NOS2 (0.66) NOS3NOS2
Hydrochloric Acid SCHEMBL8099483 0.78 NOS2 (0.64) NOS3NOS2
SCHEMBL8057464 0.77 NOS3 (1.00) NOS3NOS2
Hydrochloric Acid SCHEMBL8098187 0.75 NOS3 (0.97) NOS3NOS2
SCHEMBL251337 0.73 NOS3 (1.00) NOS3NOS2
SCHEMBL8056685 0.73 NOS3 (0.79) NOS3NOS2
SCHEMBL8058465 0.72 NOS3 (0.68) NOS3NOS2
SCHEMBL8056701 0.72 NOS3 (0.56) NOS3NOS2

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-1027052-A1 NOVEL COMBINATION AstraZeneca UK Limited (GB) 2000-08-16 EP claimed
US-6046191-A PHARMACEUTICAL COMBINATION COMPRISING A COX-2 INHIBITOR OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AND AN AMIDINE COMPOUND; FOR TREATMENT OF INFLAMMATORY DISORDERS ASTRA PHARMACEUTICALS LTD. (GB) 2000-04-04 US claimed
WO-1999018960-A1 NOVEL COMBINATION ASTRAZENECA UK LIMITED (GB) 1999-04-22 WO claimed
EP-0892784-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Astra Pharmaceuticals Limited (GB) 1999-01-27 EP claimed
WO-1997038977-A1 AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS ASTRA PHARMACEUTICALS LTD. (GB) 1997-10-23 WO claimed
EP-1027052-A1 NOVEL COMBINATION AstraZeneca UK Limited (GB) 2000-08-16 EP disclosed
US-6046191-A PHARMACEUTICAL COMBINATION COMPRISING A COX-2 INHIBITOR OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AND AN AMIDINE COMPOUND; FOR TREATMENT OF INFLAMMATORY DISORDERS ASTRA PHARMACEUTICALS LTD. (GB) 2000-04-04 US disclosed
WO-1999018960-A1 NOVEL COMBINATION ASTRAZENECA UK LIMITED (GB) 1999-04-22 WO disclosed