SCHEMBL5718588

SCHEMBL5718588

O=C(NO[C@@H]1CCCCO1)c1ccccc1NCc1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.46
FLT1 P17948 5/20 0.46
KIT P10721 3/20 0.46
ABL1 P00519 2/20 0.46
CSF1R P07333 2/20 0.46
PDGFRB P09619 2/20 0.46
FLT4 P35916 2/20 0.46
EGFR P00533 1/20 0.46
BRAF P15056 1/20 0.44
ADRA1A P35348 3/20 0.40
IGF1R P08069 1/20 0.40
FGFR1 P11362 1/20 0.40
TEK Q02763 1/20 0.40
EPHX2 P34913 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1B P35368 2/20 0.39
ADRA2C P18825 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
SCHEMBL1715032 1.00 KDR (0.46) KDRFLT1KITABL1CSF1R
SCHEMBL1715504 0.85 KDR (0.52) KDRFLT1KITABL1CSF1R
SCHEMBL1714925 0.84 KDR (0.45) KDRFLT1KITABL1CSF1R
SCHEMBL1715262 0.84 KDR (0.51) KDRFLT1KITABL1CSF1R
SCHEMBL1714791 0.84 KDR (0.51) KDRFLT1KITABL1CSF1R
SCHEMBL1715868 0.81 KDR (0.46) KDRFLT1KITABL1CSF1R
SCHEMBL5718691 0.81 KDR (0.46) KDRFLT1KITABL1CSF1R
SCHEMBL1715691 0.79 KDR (0.48) KDRFLT1KITABL1CSF1R
SCHEMBL1715244 0.79 KDR (0.47) KDRFLT1KITABL1CSF1R
SCHEMBL1715586 0.78 KDR (0.47) KDRFLT1KITABL1CSF1R

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
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