SCHEMBL14219609

SCHEMBL14219609

N#Cc1cnc(Nc2c(C(=O)O)cc(Cl)c(F)c2F)c(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.37
HTT P42858 1/20 0.35
IRAK4 Q9NWZ3 15/20 0.33
S100A9 P06702 1/20 0.33

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
SCHEMBL14220144 0.90 HTT (0.38) DHODHHTTIRAK4
SCHEMBL14220138 0.89 HTT (0.37) DHODHHTTIRAK4
SCHEMBL14219820 0.85 DHODH (0.40) DHODH
SCHEMBL14222457 0.83 DHODH (0.41) DHODH
SCHEMBL14219735 0.80 MAP2K1 (0.48) IRAK4
SCHEMBL14219625 0.80 MAP2K1 (0.48) IRAK4
SCHEMBL14223199 0.76 DHODH (0.51) DHODHHTTIRAK4
SCHEMBL14219689 0.76 DHODH (0.39) DHODH
SCHEMBL14219691 0.75 DHODH (0.44) DHODHIRAK4
SCHEMBL14219822 0.73 DHODH (0.38) DHODH

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-1908751-A1 N-hydroxy benzamides with antitumour activity EOS S.p.A. (IT) 2008-04-09 EP disclosed