SCHEMBL4596768

SCHEMBL4596768

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.42
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAP2K1 Q02750 2/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PDE10A Q9Y233 1/20 0.37
NUDT1 P36639 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HSD17B10 Q99714 1/20 0.35
EGFR P00533 1/20 0.35

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
SCHEMBL14222840 0.83 MAP2K1 (0.44) DHODHMAPTKMT2ASMN1; SMN2NPC1
SCHEMBL4595156 0.82 DHODH (0.56) DHODHMAPTKMT2ASMN1; SMN2NPC1
SCHEMBL14222851 0.78 MAP2K1 (0.42) DHODHMAPTKMT2ASMN1; SMN2NPC1
SCHEMBL4596340 0.75 MAP2K1 (0.64) MAP2K1EGFR
SCHEMBL14222842 0.75 MAP2K1 (0.48) DHODHNPC1RAB9AMAP2K1
SCHEMBL14219627 0.73 MAP2K1 (0.43) DHODHMAPTKMT2ASMN1; SMN2NPC1
SCHEMBL14219608 0.73 DHODH (0.54) DHODHMAP2K1LMNAEGFR
SCHEMBL14219808 0.72 DHODH (0.53) DHODHMAPTKMT2ANPC1RAB9A
SCHEMBL4596558 0.72 MAP2K1 (0.60) MAP2K1
SCHEMBL4596552 0.72 MAP2K1 (0.60) MAP2K1

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 2 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
EP-1908751-A1 N-hydroxy benzamides with antitumour activity EOS S.p.A. (IT) 2008-04-09 EP disclosed