SCHEMBL6564049

SCHEMBL6564049

COc1ccc2nc(OC(=O)O)c(O)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HPGD P15428 3/20 0.50
F2 P00734 1/20 0.50
GLA P06280 1/20 0.50
KDM4E B2RXH2 6/20 0.49
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TRIM24 O15164 1/20 0.44
TYR P14679 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
HSD17B10 Q99714 1/20 0.43
NCF1 P14598 1/20 0.43
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42

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
SCHEMBL6535849 0.79 KDM4E (0.51) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL6564086 0.76 ALDH1A1 (0.49) ALDH1A1HPGDGLAKDM4ESMN1; SMN2
SCHEMBL6086827 0.76 NCF1 (0.51) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL6567169 0.76 ALDH1A1 (0.52) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL31229847 0.76 KDM4E (0.58) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL11348413 0.76 NCF1 (0.53) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL8006191 0.74 NCF1 (0.50) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL22279074 0.74 KDM4E (0.60) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL873205 0.73 NCF1 (0.49) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL31414248 0.71 KDM4E (0.63) ALDH1A1HPGDF2GLAKDM4E

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-0765871-B1 Substituted Quinoline-2-carboxamides, their preparation and their use as prolyle-4-hydroxylase Inhibitors FIBROGEN INC (US) 2004-03-31 EP disclosed
EP-0765871-A1 Substituted Quinoline-2-carboxamides, their preparation and their use as prolyle-4-hydroxylase Inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1997-04-02 EP disclosed