SCHEMBL3823345

SCHEMBL3823345

COc1ncc(I)c(Cl)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
TPMT P51580 1/20 0.33
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CNR2 P34972 1/20 0.31
KMO O15229 1/20 0.31
SIRT6 Q8N6T7 1/20 0.31
PRKAB2 O43741 1/20 0.30
PRKAG1 P54619 1/20 0.30
PRKAA2 P54646 1/20 0.30

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
SCHEMBL28152678 0.79 KDM4E (0.38) ALDH1A1KDM4EHSD17B10TDP1POLB
SCHEMBL845583 0.77 SMN1; SMN2 (0.36) ALDH1A1KDM4ETPMTMAPK1SMN1; SMN2
SCHEMBL5942424 0.75 NNMT (0.33) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL676649 0.75 KDM4E (0.43) ALDH1A1KDM4EHSD17B10TDP1POLB
SCHEMBL674838 0.73 TUBB4A (0.32) ALDH1A1TDP1POLBKMT2ALMNA
SCHEMBL1044983 0.72 TDP1 (0.42) ALDH1A1KDM4EHSD17B10TDP1POLB
SCHEMBL20702438 0.72 MAPT (0.35)
SCHEMBL17371763 0.71 ALDH1A1 (0.56) ALDH1A1KDM4EHSD17B10TDP1POLB
SCHEMBL5942360 0.71 PDXK (0.33) POLB
SCHEMBL18113766 0.70 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10TDP1POLB

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-2097416-A1 AZAQUINOLONE BASED COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF Amgen, Inc (US) 2009-09-09 EP disclosed
WO-2008076425-A1 AZAQUINOLONE BASED COMPOUNDS EXHIBITING PROLYL HYDROXYLASE INHIBITORY ACTIVITY, COMPOSITIONS, AND USES THEREOF AMGEN INC. (US) 2008-06-26 WO disclosed