SCHEMBL14220114

SCHEMBL14220114

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

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.34
DHODH Q02127 1/20 0.33
EGFR P00533 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MAP2K1 Q02750 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
SCHEMBL14219826 0.92 TDP1 (0.36) PTGS2DHODHEGFRIRAK4MEN1
SCHEMBL14219642 0.83 TDP1 (0.39) PTGS2DHODHEGFRIRAK4MEN1
SCHEMBL14219656 0.81 PTGS2 (0.41) PTGS2DHODHEGFRIRAK4MEN1
SCHEMBL14219649 0.79 TDP1 (0.38) PTGS2EGFRMEN1KMT2ATDP1
SCHEMBL14223203 0.79 KDM4E (0.36) PTGS2DHODHEGFRIRAK4MEN1
SCHEMBL14219718 0.78 DHODH (0.36) PTGS2DHODHEGFRMAP2K1
SCHEMBL14220128 0.78 PTGS2 (0.37) PTGS2DHODHEGFRMAP2K1
SCHEMBL14220171 0.77 MEN1 (0.41) DHODHMEN1KMT2ATDP1MAP2K1
SCHEMBL14220172 0.76 DHODH (0.35) DHODHEGFRMEN1KMT2ATDP1
SCHEMBL14220165 0.76 MAP2K1 (0.41) DHODHEGFRMEN1KMT2ATDP1

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