SCHEMBL14220144

SCHEMBL14220144

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

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
DHODH Q02127 4/20 0.34
IRAK4 Q9NWZ3 12/20 0.33
MAP2K1 Q02750 1/20 0.33
CYP2C9 P11712 1/20 0.31
CSF1R P07333 1/20 0.31

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
SCHEMBL14220138 0.92 HTT (0.37) HTTDHODHIRAK4MAP2K1
SCHEMBL14219609 0.90 DHODH (0.37) HTTDHODHIRAK4
SCHEMBL14219822 0.84 DHODH (0.38) DHODHMAP2K1
SCHEMBL14219814 0.81 DHODH (0.43) DHODHMAP2K1
SCHEMBL14219846 0.78 MAP2K1 (0.56) IRAK4MAP2K1
SCHEMBL14219677 0.78 DHODH (0.39) DHODHIRAK4MAP2K1
SCHEMBL14220139 0.76 NPC1 (0.38) DHODHMAP2K1
SCHEMBL14219688 0.74 LMNA (0.36) DHODHMAP2K1
SCHEMBL14220106 0.74 DHODH (0.46) DHODHMAP2K1
SCHEMBL14219820 0.73 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 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