SCHEMBL10848628

SCHEMBL10848628

CN(C)Cc1ccc(Cc2cnc(N[N+](=O)[O-])[nH]c2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 7/20 0.33
TNKS O95271 3/20 0.33
PARP1 P09874 2/20 0.33
TTK P33981 1/20 0.32
AURKB Q96GD4 1/20 0.32
INCENP Q9NQS7 1/20 0.32
TLR7 Q9NYK1 2/20 0.31
HRH3 Q9Y5N1 2/20 0.31
BPTF Q12830 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
SCHEMBL11082533 0.89 DRD2 (0.34) PLA2G7TNKSPARP1
SCHEMBL10847559 0.89 PLA2G7 (0.35) PLA2G7
SCHEMBL11182943 0.87 PLA2G7 (0.31) PLA2G7
SCHEMBL11077008 0.85 PLA2G7 (0.33) PLA2G7
SCHEMBL10653869 0.84 PLA2G7 (0.46) PLA2G7
SCHEMBL10851632 0.83 PARP1 (0.31) PARP1
SCHEMBL10848262 0.83 ACHE (0.36) HRH3
SCHEMBL10618958 0.83 PLA2G7 (0.48) PLA2G7
SCHEMBL10620753 0.82 PLA2G7 (0.51) PLA2G7
SCHEMBL10651417 0.81 PLA2G7 (0.36) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4607107-A CHEMICAL INTERMEDIATES FOR HESTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LTD. (GB) 1986-08-19 US disclosed
EP-0039989-B1 PYRIMIDONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-08-29 EP disclosed
US-4439609-A 4-TERT-AMINOALKYL, 2-AMINOALKOXY OR 2-AMINOALKYLENETHIOALKYL SUBSTITUTED, CHEMICAL INTERMEDIATES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-03-27 US disclosed
US-4388317-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-06-14 US disclosed
US-4385058-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-05-24 US disclosed
EP-0049173-A2 Pyrimidone derivatives, processes for their preparation and pharmaceutical derivatives containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1982-04-07 EP disclosed
EP-0039989-A1 Pyrimidone derivatives, processes for their preparation and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-11-18 EP disclosed