SCHEMBL7572056

SCHEMBL7572056

CSc1ccccc1Cn1c(=O)n(CC(=O)O)c(=O)c2c(-c3ccnc4ccccc34)c(C(=O)O)c(C(C)C)nc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.41
EDNRB P24530 1/20 0.36
KDM5B Q9UGL1 1/20 0.33
FEN1 P39748 1/20 0.33
AKR1B10 O60218 8/20 0.33
PTGS1 P23219 1/20 0.32
CMA1 P23946 3/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
THRB P10828 1/20 0.31
TGFBR1 P36897 1/20 0.31
MAPK14 Q16539 1/20 0.31

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
SCHEMBL7571920 0.88 HDAC6 (0.41) PTGDR2EDNRBALDH1A1
SCHEMBL8923666 0.87 EDNRB (0.34) PTGDR2EDNRBKDM5BFEN1CMA1
SCHEMBL8923924 0.83 HDAC6 (0.40) PTGDR2ALDH1A1
SCHEMBL7574883 0.81 PTGDR2 (0.40) PTGDR2EDNRBALDH1A1SMN1; SMN2
SCHEMBL7511671 0.74 HDAC6 (0.39) PTGDR2EDNRBFEN1ALDH1A1SMN1; SMN2
SCHEMBL8914836 0.70 PTGDR2 (0.38) PTGDR2EDNRBTSHR
SCHEMBL8915668 0.66 HDAC6 (0.37) PTGDR2ALDH1A1SMN1; SMN2
SCHEMBL7512664 0.64 SLC10A2 (0.43) EDNRBALDH1A1SMN1; SMN2
SCHEMBL7506489 0.64 PTGDR2 (0.35) PTGDR2ALDH1A1SMN1; SMN2
SCHEMBL7594594 0.64 KMT2A (0.44)

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