SCHEMBL2493690

SCHEMBL2493690

CCc1c(-c2cccc(Br)c2)nc2ccc(F)cc2c1C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 14/20 0.75
PTGFR P43088 3/20 0.54
AURKA O14965 2/20 0.51
AURKB Q96GD4 2/20 0.51
KDR P35968 1/20 0.50
PDE10A Q9Y233 1/20 0.48
DHFR P00374 1/20 0.47
ALKBH5 Q6P6C2 1/20 0.47

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
SCHEMBL2373278 0.86 DHODH (0.74) DHODHPTGFRPDE10ADHFRALKBH5
SCHEMBL17593966 0.84 DHODH (0.71) DHODHPTGFRAURKAAURKBKDR
SCHEMBL5418381 0.78 DHODH (0.73) DHODHPDE10ADHFRALKBH5
SCHEMBL17593932 0.78 PTGFR (0.68) DHODHPTGFRDHFRALKBH5
SCHEMBL2372767 0.76 DHODH (0.56) DHODH
SCHEMBL5442128 0.75 DHODH (0.72) DHODHPDE10ADHFRALKBH5
SCHEMBL17593896 0.75 PTGFR (0.65) DHODHPTGFRAURKAAURKBKDR
SCHEMBL8349971 0.74 ALDH1A1 (0.66) DHODHPTGFRAURKAAURKBKDR
SCHEMBL5908719 0.73 DHODH (0.95) DHODHPDE10ADHFRALKBH5
SCHEMBL5793184 0.72 DHODH (0.79) DHODHPDE10ADHFRALKBH5

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-2549872-A1 TRPV4 ANTAGONISTS GlaxoSmithKline LLC (US) 2013-01-30 EP disclosed
WO-2011119701-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed