SCHEMBL8802909

SCHEMBL8802909

CCN(C(=O)CN1C(=O)c2ccccc2C1=O)c1ccc(C(C)OS(C)(=O)=O)cc1C(C)OS(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 1/20 0.38
ELANE P08246 1/20 0.38
POLB P06746 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 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
SCHEMBL8801762 0.90 GAA (0.40) GAATDP1ALDH1A1ELANEPOLB
SCHEMBL8303404 0.77 GAA (0.39) GAATDP1ALDH1A1ELANEPOLB
SCHEMBL6644261 0.72 MEN1 (0.39) GAATDP1ALDH1A1KDM4EPOLB
SCHEMBL8803622 0.71 ELANE (0.43) GAATDP1ALDH1A1ELANEPOLB
SCHEMBL7981672 0.69 POLB (0.41) GAATDP1ALDH1A1KDM4EELANE
SCHEMBL6642183 0.67 MAPT (0.45) GAATDP1ALDH1A1KDM4EPOLB
SCHEMBL6641965 0.66 MAPT (0.42) GAATDP1ALDH1A1KDM4EPOLB
SCHEMBL29398039 0.65 L3MBTL1 (0.63) GAATDP1ALDH1A1KDM4EPOLB
SCHEMBL9158223 0.65 ALDH1A1 (0.55) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL7747088 0.64 GAA (0.43) GAATDP1ALDH1A1POLBKMT2A

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
EP-0807105-A1 PYRIDOPYRIMIDONES, QUINOLINES AND FUSED N-HERETOCYCLES AS BRADYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed