SCHEMBL6826836

SCHEMBL6826836

Nc1c(-c2ccc(F)cc2)nc2ccccc2c1C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 13/20 0.73
TACR3 P29371 2/20 0.61
PDE10A Q9Y233 3/20 0.57
LMNA P02545 2/20 0.57
ADORA2A P29274 1/20 0.57
TSHR P16473 1/20 0.56
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
POLB P06746 1/20 0.51

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
SCHEMBL8792622 0.89 DHODH (0.72) DHODHTACR3PDE10ALMNATSHR
SCHEMBL3908668 0.89 DHODH (0.71) DHODHTACR3PDE10ALMNAADORA2A
SCHEMBL8794728 0.87 DHODH (0.68) DHODHTACR3
SCHEMBL8792497 0.86 DHODH (0.60) DHODHTACR3PDE10ALMNATSHR
SCHEMBL8793224 0.85 DHODH (0.58) DHODHPDE10ALMNATSHRCYP2D6
SCHEMBL8792419 0.85 DHODH (1.00) DHODH
SCHEMBL4666226 0.85 DHODH (0.68) DHODHTACR3PDE10ALMNAADORA2A
SCHEMBL8794378 0.84 DHODH (0.90) DHODH
SCHEMBL8794131 0.83 DHODH (0.76) DHODHTACR3PDE10ALMNATSHR
SCHEMBL3902769 0.82 TACR3 (0.61) DHODHTACR3ADORA2A

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
WO-2004050627-A1 A QUINOLINE AMIDE DERIVATIVE AS AGENT AGAINST DISORDERS OF THE CNS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-17 WO disclosed