SCHEMBL28630778

SCHEMBL28630778

COC(=O)c1cc(OC)c(N)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
POLB P06746 3/20 0.49
HTT P42858 2/20 0.49
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.47
CYP3A4 P08684 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.45
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
SIRT6 Q8N6T7 1/20 0.44

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
SCHEMBL5165175 0.88 KDM4E (0.66) KDM4EPOLBHTTGAAL3MBTL1
SCHEMBL1953578 0.87 POLB (0.61) KDM4EPOLBHTTL3MBTL1NPC1
SCHEMBL15600792 0.86 PKM (0.54) KDM4EPOLBHTTL3MBTL1NPC1
SCHEMBL21816696 0.86 HTT (0.49) KDM4EPOLBHTTL3MBTL1NPC1
SCHEMBL2899450 0.86 POLB (0.52) KDM4EPOLBHTTGAAL3MBTL1
SCHEMBL28641985 0.85 KDM4E (0.43) KDM4EPOLBHTTGAAL3MBTL1
SCHEMBL24525512 0.83 PDGFRB (0.51) KDM4EGAACYP3A4TDP1LMNA
SCHEMBL5256629 0.83 POLB (0.50) KDM4EPOLBHTTL3MBTL1NPC1
SCHEMBL18700346 0.83 PDGFRB (0.51) KDM4EPOLBHTTL3MBTL1NPC1
SCHEMBL29734700 0.83 POLB (0.50) KDM4EPOLBHTTL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107793413-B Pyrimidine heterocyclic compound and preparation method and application thereof 上海科州药物研发有限公司 2021-09-28 CN disclosed