SCHEMBL7516884

SCHEMBL7516884

COc1ccccc1Cn1c(=O)n(CC(=O)O)c(=O)c2c(-c3ccc4ccccc4[n+]3[O-])c(C(=O)O)c(C(C)C)nc21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PKM P14618 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
EDNRB P24530 6/20 0.34
MAPT P10636 3/20 0.34
TP53 P04637 2/20 0.33
GNRHR P30968 2/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33
HIF1A Q16665 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL7511671 0.84 HDAC6 (0.39) FEN1MEN1KMT2APKMEDNRB
SCHEMBL7571920 0.79 HDAC6 (0.41) MEN1KMT2APKMEDNRBMAPT
SCHEMBL8915668 0.77 HDAC6 (0.37) MEN1KMT2APKMMAPTTP53
SCHEMBL8914836 0.76 PTGDR2 (0.38) MEN1KMT2AEDNRB
SCHEMBL7512664 0.76 SLC10A2 (0.43) EDNRBMAPTTP53GNRHRMAPK1
SCHEMBL7506489 0.75 PTGDR2 (0.35) MEN1KMT2AMAPTTP53GNRHR
SCHEMBL8923924 0.73 HDAC6 (0.40) MEN1KMT2APKMMAPTTP53
SCHEMBL7574883 0.72 PTGDR2 (0.40) MEN1KMT2APKMEDNRBMAPT
SCHEMBL7508121 0.67 GAA (0.49) MEN1KMT2AEDNRBMAPTGNRHR
SCHEMBL7842798 0.63 MAPK8 (0.46) FEN1MEN1KMT2APKMEDNRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0608565-B1 Pyridopyrimidine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-03-13 EP disclosed
US-5654309-A KIDNEY, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-08-05 US disclosed