SCHEMBL7512664

SCHEMBL7512664

CCOC(=O)c1c(C(C)C)nc2c(c1-c1ccc(C)cc1)c(=O)n(CC(=O)O)c(=O)n2Cc1ccccc1OC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 1/20 0.43
EDNRB P24530 4/20 0.40
MAPK8 P45983 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 1/20 0.36
TP53 P04637 1/20 0.36
GNRHR P30968 3/20 0.36
PPARD Q03181 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
P2RY12 Q9H244 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL7511306 0.87 MAPT (0.38) SLC10A2LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL7508121 0.85 GAA (0.49) EDNRBLMNAMAPTSMN1; SMN2GNRHR
SCHEMBL7574883 0.85 PTGDR2 (0.40) SLC10A2EDNRBMAPTSMN1; SMN2MAPK1
SCHEMBL8915668 0.80 HDAC6 (0.37) SLC10A2MAPK8MAPTSMN1; SMN2MAPK1
SCHEMBL9227176 0.79 GAA (0.49) EDNRBMAPTGNRHRALDH1A1NPSR1
SCHEMBL7511671 0.78 HDAC6 (0.39) EDNRBMAPTSMN1; SMN2MAPK1USP2
SCHEMBL7506489 0.78 PTGDR2 (0.35) SLC10A2MAPK8MAPTSMN1; SMN2MAPK1
SCHEMBL7516884 0.76 FEN1 (0.37) EDNRBMAPTMAPK1TP53GNRHR
SCHEMBL8923924 0.75 HDAC6 (0.40) MAPTMAPK1TP53GNRHRUSP2
SCHEMBL7516530 0.72 GAA (0.42) LMNAMAPTSMN1; SMN2MAPK1TP53

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 6 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 claimed
US-5654309-A KIDNEY, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-08-05 US claimed
EP-0608565-A1 Pyridopyrimidine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1994-08-03 EP 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
EP-0608565-A1 Pyridopyrimidine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1994-08-03 EP disclosed