SCHEMBL2390872

SCHEMBL2390872

CNCc1cccc(C(C)C(=O)OC(=O)C(=O)OC(=O)C(C)c2cccc(CNC)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PTGS1 P23219 2/20 0.43
PTGS2 P35354 1/20 0.43
NOS1 P29475 1/20 0.39
FFAR1 O14842 1/20 0.38
ERCC1 P07992 1/20 0.37
ERCC4 Q92889 1/20 0.37
PRMT6 Q96LA8 3/20 0.37
BCHE P06276 1/20 0.37
HTR7 P34969 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
EPHX2 P34913 1/20 0.35

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
SCHEMBL2389438 0.84 MEN1 (0.41) MEN1KMT2APTGS1PTGS2BCHE
SCHEMBL2389238 0.82 L3MBTL1 (0.46) MEN1KMT2APTGS1PTGS2BCHE
Oxalic Acid SCHEMBL2390867 0.79 PTGS2 (0.49) MEN1KMT2APTGS1PTGS2NOS1
SCHEMBL5013630 0.74 KDM4E (0.48) NOS1PRMT6BCHEHTR7ALDH1A1
SCHEMBL9651355 0.74 PTGS1 (0.62) MEN1KMT2APTGS1PTGS2ALDH1A1
SCHEMBL16771624 0.73 NOS1 (0.49) MEN1KMT2ANOS1PRMT6BCHE
SCHEMBL5528738 0.73 SLC7A5 (0.44) MEN1KMT2ANOS1PRMT6HTR7
SCHEMBL2917051 0.72 PTGS1 (0.56) MEN1KMT2APTGS1PTGS2ALDH1A1
SCHEMBL28499999 0.72 PTGS2 (0.56) MEN1KMT2APTGS1PTGS2
SCHEMBL7716765 0.72 PTGS1 (0.56) MEN1KMT2APTGS1PTGS2ALDH1A1

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
US-8012964-B2 9-substituted 8-oxoadenine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-06 US disclosed