SCHEMBL14219646

SCHEMBL14219646

C=Cc1cc(C)cnc1Nc1c(C(=O)NOCC(=O)O)cc(F)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DHODH Q02127 3/20 0.35
MAP2K1 Q02750 13/20 0.33
MAP2K2 P36507 2/20 0.31
MAPK1 P28482 1/20 0.31
ABCB11 O95342 1/20 0.31
NQO2 P16083 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL14219856 0.91 MAP2K1 (0.39) MEN1KMT2ATDP1DHODHMAP2K1
SCHEMBL14219661 0.91 MAP2K1 (0.33) MEN1KMT2ATDP1DHODHMAP2K1
SCHEMBL14219614 0.89 MAP2K1 (0.42) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL14223214 0.86 MEN1 (0.55) MEN1KMT2ATDP1DHODHMAP2K1
SCHEMBL14222505 0.86 MEN1 (0.41) MEN1KMT2ATDP1DHODHMAP2K1
SCHEMBL14219710 0.85 MEN1 (0.40) MEN1KMT2ATDP1DHODHMAP2K1
SCHEMBL14220111 0.81 ALDH1A1 (0.40) MEN1KMT2ATDP1DHODHMAP2K1
SCHEMBL14219711 0.80 MEN1 (0.42) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL14219738 0.80 MEN1 (0.42) MEN1KMT2ATDP1DHODHMAP2K1
SCHEMBL14222856 0.79 MEN1 (0.40) MEN1KMT2ATDP1DHODHMAP2K1

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