SCHEMBL7736057

SCHEMBL7736057

COc1cc(Cc2cnc(N[N+](=O)[O-])[nH]c2=O)ccn1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 4/20 0.50
LOX P28300 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CDK2 P24941 1/20 0.34
TYMS P04818 1/20 0.34
GSK3A P49840 2/20 0.33
GSK3B P49841 2/20 0.33
PDE9A O76083 1/20 0.33
KMT2A Q03164 1/20 0.32
ROCK2 O75116 1/20 0.32
PDE10A Q9Y233 2/20 0.32
ACVR2A P27037 1/20 0.31
TGFBR1 P36897 1/20 0.31
TGFBR2 P37173 1/20 0.31
GRM2 Q14416 1/20 0.31

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
SCHEMBL10618160 0.84 PLA2G7 (0.38) PLA2G7KMT2A
SCHEMBL11004581 0.83 DHFR (0.46) PDE9A
SCHEMBL11077008 0.82 PLA2G7 (0.33) PLA2G7
SCHEMBL10618958 0.81 PLA2G7 (0.48) PLA2G7PDE10A
SCHEMBL7741977 0.80 IDH1 (0.39) PDE10A
SCHEMBL11003535 0.80 DHFR (0.44) KMT2A
SCHEMBL11010314 0.79 DYRK1A (0.40) TYMSPDE9AACVR2ATGFBR1TGFBR2
SCHEMBL11221550 0.78 KMT2A (0.34) KMT2APDE10A
SCHEMBL10653869 0.78 PLA2G7 (0.46) PLA2G7
SCHEMBL10375970 0.77 PLA2G7 (0.49) PLA2G7

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6417192-B1 DRUGS WITH PYRIMIDONE COMPOUNDS INHIBITORS OF THE ENZYME LDL PLA.SUB.2 AND THEREFORE OF USE IN TREATING ATHEROSCLEROSIS. SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-09 US disclosed
EP-0163506-B1 PROCESS FOR THE PREPARATION OF A PYRIDIL-PROPANOIC ACID SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-11-02 EP disclosed
EP-0141560-B1 CHEMICAL PROCESS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-01-25 EP disclosed
EP-0083186-B1 THIAZOLE DERIVATIVES AS H2-RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1988-05-11 EP disclosed
EP-0113572-B1 PYRIDINE DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-02-03 EP disclosed
US-4649141-A HISTAMINE ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-03-10 US disclosed
US-4639519-A 2-substituted alkylaminopyrimidones useful as H2 -antagonists and antiinflamatory agents SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-01-27 US disclosed
US-4607107-A CHEMICAL INTERMEDIATES FOR HESTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LTD. (GB) 1986-08-19 US disclosed
US-4558128-A ANTIHISTAMINE, ANTIINFLAMMATORY AGENT SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-12-10 US disclosed
EP-0163506-A2 Process for the preparation of a pyridil-propanoic acid SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-12-04 EP disclosed
US-4255428-A ANTIINFLAMMATORY AGENTS, HISTAMINE BLOCKING AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-03-10 US disclosed
US-4234588-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-11-18 US disclosed
EP-0017680-A1 Pyrimidone derivatives, process for preparing them and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-10-29 EP disclosed
US-4227000-A Intermediates in the process for making histamine antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-10-07 US disclosed
EP-0015138-A1 Pyrimidone derivatives, processes for their preparation and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-09-03 EP disclosed
EP-0013071-A1 Pyrimidinone derivatives, processes for preparing them and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-07-09 EP disclosed
WO-1980000966-A1 NEW HISTAMINE H2-ANTAGONISTS SMITH KLINE FRENCH LAB (GB) 1980-05-15 WO disclosed
EP-0007232-A1 Iso(thio)ureas, processes for their preparation and compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-01-23 EP disclosed
EP-0004793-A2 2-nitro aminopyrimidone derivatives, a process for their preparation and their use to prepare 2-aminopyrimidone derivatives which have histamine H2-antagonist activity SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-10-17 EP disclosed
EP-0003677-A2 Pyrimidones, processes for their preparation and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-08-22 EP disclosed