SCHEMBL4595156

SCHEMBL4595156

O=C(O)c1ccc(F)c(F)c1Nc1ncc(Cl)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.56
MAP2K1 Q02750 2/20 0.55
MAP2K2 P36507 1/20 0.49
SORT1 Q99523 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
EGFR P00533 1/20 0.39
XDH P47989 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
CLCN2 P51788 2/20 0.38
NR4A1 P22736 1/20 0.38
IP6K1 Q92551 1/20 0.38

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
SCHEMBL14222837 0.87 DHODH (0.54) DHODHMAP2K1MAP2K2SORT1EGFR
SCHEMBL14219608 0.87 DHODH (0.54) DHODHMAP2K1MAP2K2EGFRCLCN2
SCHEMBL14219808 0.87 DHODH (0.53) DHODHMAP2K1SORT1NPC1MAPT
SCHEMBL14223199 0.85 DHODH (0.51) DHODHMAP2K1SORT1SMN1; SMN2NPC1
SCHEMBL14222840 0.83 MAP2K1 (0.44) DHODHMAP2K1MAP2K2SMN1; SMN2NPC1
SCHEMBL4596768 0.82 DHODH (0.42) DHODHMAP2K1SMN1; SMN2NPC1MAPT
SCHEMBL14222842 0.82 MAP2K1 (0.48) DHODHMAP2K1MAP2K2NPC1RAB9A
SCHEMBL14220140 0.81 MAP2K1 (0.51) DHODHMAP2K1MAP2K2
SCHEMBL14222834 0.81 MAP2K1 (0.49) DHODHMAP2K1MAP2K2KMT2AEGFR
SCHEMBL14222851 0.81 MAP2K1 (0.42) DHODHMAP2K1MAP2K2SMN1; SMN2NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008041088-A2 N-HYDROXY BENZAMIDES WITH ANTITUMOR ACTIVITY EOS (ETHICAL ONCOLOGY SCIENCE) S.P.A. (IT) 2008-04-10 WO disclosed
WO-2008041088-A2 N-HYDROXY BENZAMIDES WITH ANTITUMOR ACTIVITY EOS (ETHICAL ONCOLOGY SCIENCE) S.P.A. (IT) 2008-04-10 WO disclosed
EP-1908751-A1 N-hydroxy benzamides with antitumour activity EOS S.p.A. (IT) 2008-04-09 EP disclosed
EP-1908751-A1 N-hydroxy benzamides with antitumour activity EOS S.p.A. (IT) 2008-04-09 EP disclosed