SCHEMBL14220138

SCHEMBL14220138

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

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
DHODH Q02127 5/20 0.36
MAP2K1 Q02750 1/20 0.34
IRAK4 Q9NWZ3 13/20 0.34

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 0.92 HTT (0.38) HTTDHODHMAP2K1IRAK4
SCHEMBL14219609 0.89 DHODH (0.37) HTTDHODHIRAK4
SCHEMBL14222532 0.82 DHODH (0.44) HTTDHODHMAP2K1
SCHEMBL14220180 0.79 MAP2K1 (0.51) MAP2K1IRAK4
SCHEMBL14219822 0.75 DHODH (0.38) DHODHMAP2K1
SCHEMBL14219693 0.75 DHODH (0.41) DHODHMAP2K1IRAK4
SCHEMBL14222530 0.75 NPC1 (0.40) DHODHMAP2K1
SCHEMBL14219682 0.74 MAP2K1 (0.44) DHODHMAP2K1IRAK4
SCHEMBL14219814 0.73 DHODH (0.43) DHODHMAP2K1
SCHEMBL14219820 0.72 DHODH (0.40) DHODHMAP2K1

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
WO-2008041088-A2 N-HYDROXY BENZAMIDES WITH ANTITUMOR ACTIVITY EOS (ETHICAL ONCOLOGY SCIENCE) S.P.A. (IT) 2008-04-10 WO disclosed
EP-1908751-A1 N-hydroxy benzamides with antitumour activity EOS S.p.A. (IT) 2008-04-09 EP disclosed