SCHEMBL14220111

SCHEMBL14220111

Bc1cc(C(=O)NOCC=C)c(Nc2ncc(C)cc2C=C)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DHODH Q02127 1/20 0.31
MAP2K1 Q02750 2/20 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
SCHEMBL14220154 0.85 MEN1 (0.40) ALDH1A1MEN1KMT2ATDP1DHODH
SCHEMBL14219716 0.83 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ATDP1DHODH
SCHEMBL14219646 0.81 MEN1 (0.39) ALDH1A1MEN1KMT2ATDP1DHODH
SCHEMBL14219614 0.81 MAP2K1 (0.42) MAP2K1
SCHEMBL14219853 0.80 MAP2K1 (0.40) ALDH1A1MEN1KMT2ATDP1DHODH
SCHEMBL14219661 0.80 MAP2K1 (0.33) ALDH1A1MEN1KMT2ATDP1DHODH
SCHEMBL14219856 0.80 MAP2K1 (0.39) MEN1KMT2ATDP1DHODHMAP2K1
SCHEMBL14220120 0.79 MAP2K1 (0.36) MEN1KMT2ATDP1DHODHMAP2K1
SCHEMBL14223214 0.79 MEN1 (0.55) MEN1KMT2ATDP1DHODHMAP2K1
SCHEMBL14220130 0.79 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ATDP1DHODH

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