SCHEMBL5584511

SCHEMBL5584511

O=C(NOCCc1ccccc1C(F)(F)F)c1ccccc1NCc1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.52
FLT1 P17948 4/20 0.52
KIT P10721 2/20 0.52
ABL1 P00519 1/20 0.52
EGFR P00533 1/20 0.52
CSF1R P07333 1/20 0.52
PDGFRB P09619 1/20 0.52
FLT4 P35916 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.46
NR3C2 P08235 1/20 0.44
BRAF P15056 1/20 0.43
RXFP1 Q9HBX9 1/20 0.41
NAMPT P43490 1/20 0.41
ABCB1 P08183 1/20 0.40
CYP3A4 P08684 1/20 0.40
CD38 P28907 1/20 0.40
SCD O00767 5/20 0.40

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
SCHEMBL1714868 0.90 KDR (0.54) KDRFLT1KITABL1EGFR
SCHEMBL5584062 0.83 KDR (0.50) KDRFLT1KITABL1EGFR
SCHEMBL5584184 0.81 ALDH1A1 (0.44) KDRFLT1KITABL1EGFR
SCHEMBL1715122 0.81 KDR (0.52) KDRFLT1KITABL1EGFR
SCHEMBL1715460 0.80 KDR (0.53) KDRFLT1KITABL1EGFR
SCHEMBL1714801 0.80 KDR (0.52) KDRFLT1KITABL1EGFR
SCHEMBL5718477 0.79 KDR (0.61) KDRFLT1KITABL1EGFR
SCHEMBL1715054 0.79 KDR (0.48) KDRFLT1KITABL1EGFR
SCHEMBL1715227 0.79 KDR (0.50) KDRFLT1KITABL1EGFR
SCHEMBL1715136 0.78 KDR (0.53) KDRFLT1KITABL1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007513098-A 2007-05-24 JP claimed
EP-1697312-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF Leo Pharma A/S (DK) 2006-09-06 EP claimed
WO-2005054179-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2005-06-16 WO claimed
EP-1697312-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF Leo Pharma A/S (DK) 2006-09-06 EP disclosed
WO-2005054179-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2005-06-16 WO disclosed