SCHEMBL6567169

SCHEMBL6567169

COc1ccc2nc(C(C)=O)c(O)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
HPGD P15428 3/20 0.52
F2 P00734 1/20 0.52
GLA P06280 1/20 0.52
KDM4E B2RXH2 4/20 0.51
CYP3A4 P08684 3/20 0.50
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
POLB P06746 1/20 0.48
TRIM24 O15164 1/20 0.46
TYR P14679 1/20 0.46
TRIM33 Q9UPN9 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
KMT2A Q03164 1/20 0.45
RELA Q04206 1/20 0.45

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
SCHEMBL6564111 0.91 MTNR1B (0.48) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL6535849 0.88 KDM4E (0.51) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL6565239 0.85 PDE3B (0.49) ALDH1A1HPGDF2GLAKDM4E
SCHEMBL6565253 0.82 TDP1 (0.43) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL8630450 0.82 DYRK1A (0.47) KDM4ECYP3A4MAPK1SMN1; SMN2NPC1
SCHEMBL6565261 0.81 PDE3B (0.47) PDE3BPDE3A
SCHEMBL8632228 0.79 MEN1 (0.50) ALDH1A1KDM4EMAPK1SMN1; SMN2MEN1
SCHEMBL6565865 0.78 EGLN1 (0.57) ALDH1A1HPGDKDM4ESMN1; SMN2POLB
SCHEMBL6567189 0.78 THRA (0.48) PDE3BPDE3APDE2A
SCHEMBL6086827 0.78 NCF1 (0.51) 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 5 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
CN-1120157-C Substituted quinoline-2-carboxamides, process for their preparation and their use as pharmaceuticals, and intermediates thereof FIBER GENE CORP (US) 2003-09-03 CN disclosed
CN-1282737-A Intermediate product used for preparing substituted quinoline-2-formamide MOECHST AG (DE) 2001-02-07 CN disclosed
CN-1154365-A Substituted quinoline-2-carboxamides, process for their preparation and their use as pharmaceuticals, and intermediates thereof HOECHST AG (DE) 1997-07-16 CN 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