SCHEMBL14219661

SCHEMBL14219661

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

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 3/20 0.33
SMC2 O95347 1/20 0.33
EGFR P00533 1/20 0.33
CSNK2A2 P19784 1/20 0.33
MAP2K2 P36507 1/20 0.33
SMC1A Q14683 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
Q6ZSR9 Q6ZSR9 1/20 0.33
BMP2K Q9NSY1 1/20 0.33
DHODH Q02127 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL14219646 0.91 MEN1 (0.39) MAP2K1MAP2K2DHODHMEN1KMT2A
SCHEMBL14219856 0.89 MAP2K1 (0.39) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL14219726 0.86 MAP2K1 (0.34) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL14220130 0.81 ALDH1A1 (0.37) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL14219658 0.80 MAP2K1 (0.39) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL14219727 0.80 MEN1 (0.34) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL14219614 0.80 MAP2K1 (0.42) MAP2K1MAP2K2
SCHEMBL14223049 0.80 MAP2K1 (0.37) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL14219716 0.80 ALDH1A1 (0.36) MAP2K1SMC2EGFRCSNK2A2MAP2K2
SCHEMBL14220111 0.80 ALDH1A1 (0.40) MAP2K1DHODHMEN1KMT2ATDP1

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