SCHEMBL7511671

SCHEMBL7511671

COc1ccccc1Cn1c(=O)n(CC(=O)O)c(=O)c2c(-c3ccc4ccccc4n3)c(C(=O)O)c(C(C)C)nc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.39
MAPT P10636 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
USP2 O75604 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HIF1A Q16665 1/20 0.38
FEN1 P39748 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PKM P14618 1/20 0.36
EDNRB P24530 5/20 0.36
MAPK1 P28482 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL8914836 0.92 PTGDR2 (0.38) PTGDR2MEN1KMT2AEDNRB
SCHEMBL8915668 0.91 HDAC6 (0.37) HDAC6MAPTPTGDR2NPSR1USP2
SCHEMBL7506489 0.88 PTGDR2 (0.35) HDAC6MAPTPTGDR2NPSR1USP2
SCHEMBL7516884 0.84 FEN1 (0.37) HDAC6MAPTNPSR1USP2ALDH1A1
SCHEMBL8923924 0.79 HDAC6 (0.40) HDAC6MAPTPTGDR2NPSR1USP2
SCHEMBL7512664 0.78 SLC10A2 (0.43) MAPTNPSR1USP2ALDH1A1EDNRB
SCHEMBL7574883 0.77 PTGDR2 (0.40) HDAC6MAPTPTGDR2NPSR1USP2
SCHEMBL7571890 0.73 LMNA (0.36) MAPTNPSR1USP2ALDH1A1MEN1
SCHEMBL7508121 0.69 GAA (0.49) MAPTNPSR1ALDH1A1MEN1KMT2A
SCHEMBL7512320 0.65 NMT2 (0.32) USP2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5654309-A KIDNEY, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-08-05 US claimed
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