SCHEMBL8794864

SCHEMBL8794864

Nc1c(-c2ccc(Cl)cc2)nc2ccccc2c1OC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PDE10A Q9Y233 1/20 0.43
AKR1B10 O60218 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
LTB4R Q15722 1/20 0.42
DHODH Q02127 2/20 0.42
TNKS O95271 1/20 0.42
GUSB P08236 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CDH1 P12830 1/20 0.42
APC P25054 1/20 0.42
CTNNB1 P35222 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
SCHEMBL8794990 0.90 DHODH (0.51) LMNAPDE10ADHODH
SCHEMBL8794407 0.86 CDH1 (0.48) GAAAKR1B10DHODHCDH1APC
SCHEMBL8794800 0.86 DHODH (0.56) KDM4ELMNAGAAL3MBTL1MAPT
SCHEMBL8795029 0.85 SCN9A (0.57) KDM4ELMNAMAPTDHODH
SCHEMBL8795106 0.82 DHODH (0.48) DHODH
SCHEMBL8794037 0.80 DHODH (0.50) GAAAKR1B10DHODHCDH1APC
SCHEMBL8794203 0.80 DHODH (0.44) GAAAKR1B10DHODHCDH1APC
SCHEMBL8795287 0.79 DHODH (0.48) LMNADHODH
SCHEMBL8793224 0.79 DHODH (0.58) KDM4ELMNAGAAL3MBTL1PDE10A
SCHEMBL8795005 0.79 DHODH (0.50) GAADHODHCDH1APCCTNNB1

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-0379145-B1 Substituted quinolinecarboxylic acids AMERICAN CYANAMID CO (US) 1997-05-07 EP claimed