SCHEMBL14220171

SCHEMBL14220171

Bc1cc(C)cnc1Nc1c(C(=O)NOCC)cc(F)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAP2K1 Q02750 13/20 0.40
KDR P35968 2/20 0.37
DHODH Q02127 3/20 0.35
ABCB11 O95342 1/20 0.33
NQO2 P16083 1/20 0.33
MAP2K2 P36507 1/20 0.33
MAPK14 Q16539 1/20 0.32

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
SCHEMBL14220165 0.90 MAP2K1 (0.41) MEN1KMT2ATDP1MAP2K1KDR
SCHEMBL14219832 0.89 MEN1 (0.45) MEN1KMT2ATDP1MAP2K1KDR
SCHEMBL14220154 0.89 MEN1 (0.40) MEN1KMT2ATDP1MAP2K1DHODH
SCHEMBL14222855 0.88 MAP2K1 (0.42) MEN1KMT2ATDP1MAP2K1KDR
SCHEMBL14219638 0.87 MEN1 (0.58) MEN1KMT2ATDP1MAP2K1KDR
SCHEMBL14222863 0.86 MAP2K1 (0.47) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL14220170 0.86 MAP2K1 (0.47) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL14220120 0.85 MAP2K1 (0.36) MEN1KMT2ATDP1MAP2K1KDR
SCHEMBL14223208 0.85 MEN1 (0.43) MEN1KMT2ATDP1MAP2K1KDR
SCHEMBL14219826 0.85 TDP1 (0.36) MEN1KMT2ATDP1MAP2K1DHODH

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