SCHEMBL10744809

SCHEMBL10744809

CCOC(=O)C(C=O)Cc1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.46
KMT2A Q03164 2/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.43
TBXAS1 P24557 2/20 0.43
NAPRT Q6XQN6 1/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
GRM2 Q14416 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP3A4 P08684 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL15258874 0.87 ALDH1A1 (0.47) FDPSKMT2APKMTBXAS1NAPRT
SCHEMBL10618105 0.86 LMNA (0.43) KMT2APKMTBXAS1NAPRTLMNA
SCHEMBL4416145 0.84 NLRP3 (0.35) KMT2ATSHRALDH1A1LMNACYP3A4
SCHEMBL11235663 0.84 FDPS (0.43) FDPSKMT2ATBXAS1NAPRTPOLB
SCHEMBL7345369 0.82 MMP8 (0.52) FDPSKMT2APKMTBXAS1NAPRT
SCHEMBL10619824 0.82 CDC7 (0.40) KMT2APKMPOLBGAAALDH1A1
SCHEMBL3182607 0.82 MMP8 (0.55) KMT2APKMPOLBALDH1A1LMNA
SCHEMBL7011927 0.82 CPB2 (0.43) KMT2ATSHRPOLBALDH1A1LMNA
SCHEMBL30178281 0.81 TBXAS1 (0.56) FDPSKMT2APKMTBXAS1NAPRT
SCHEMBL2420345 0.81 TBXAS1 (0.56) FDPSKMT2APKMTBXAS1NAPRT

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4649141-A HISTAMINE ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-03-10 US disclosed
US-4559344-A ANTIULCER AGENTS LUDWIG HEUMANN & CO. GMBH (DE) 1985-12-17 US disclosed
US-4539207-A Pyrimidine compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-09-03 US disclosed
US-4523015-A Process and nitroaminopyrimidone intermediates for histamine H2 -antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-06-11 US disclosed
US-4521418-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-06-04 US disclosed
US-4496567-A HSITAMINE H2 ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-01-29 US disclosed
EP-0119510-A1 Pyridine-pyrimidinone derivatives, process for their preparation and medicines containing these compounds LUDWIG HEUMANN & CO GMBH (DE) 1984-09-26 EP disclosed
EP-0013071-B1 PYRIMIDINONE DERIVATIVES, PROCESSES FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-11-16 EP disclosed
EP-0015138-B1 PYRIMIDONE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-03-16 EP disclosed
EP-0017680-B1 PYRIMIDONE DERIVATIVES, PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1982-04-21 EP disclosed
EP-0004793-B1 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) 1981-12-30 EP disclosed
EP-0003677-B1 PYRIMIDONES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-11-11 EP 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-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