SCHEMBL5584062

SCHEMBL5584062

O=C(NOCCc1ccccc1)c1ccccc1NCc1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.50
FLT1 P17948 5/20 0.50
KIT P10721 3/20 0.49
ABL1 P00519 2/20 0.49
CSF1R P07333 2/20 0.49
PDGFRB P09619 2/20 0.49
FLT4 P35916 2/20 0.49
EGFR P00533 1/20 0.49
CDC7 O00311 1/20 0.48
ROCK2 O75116 1/20 0.48
MAP4K4 O95819 1/20 0.48
GSK3B P49841 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
KDM4C Q9H3R0 2/20 0.48
KDM4E B2RXH2 1/20 0.48
KDM6B O15054 1/20 0.48
KDM4A O75164 1/20 0.48
KDM4D Q6B0I6 1/20 0.48
BRAF P15056 1/20 0.47

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
SCHEMBL1715054 0.93 KDR (0.48) KDRFLT1KITABL1CSF1R
SCHEMBL1715025 0.88 KDR (0.48) KDRFLT1KITABL1CSF1R
SCHEMBL1715590 0.88 KDR (0.44) KDRFLT1KITABL1CSF1R
SCHEMBL1715122 0.88 KDR (0.52) KDRFLT1KITABL1CSF1R
SCHEMBL1715384 0.88 KDR (0.52) KDRFLT1KITABL1CSF1R
SCHEMBL1715470 0.87 KDR (0.47) KDRFLT1KITABL1CSF1R
SCHEMBL1715298 0.86 KDR (0.50) KDRFLT1KITABL1CSF1R
SCHEMBL1715227 0.86 KDR (0.50) KDRFLT1KITABL1CSF1R
SCHEMBL1715135 0.85 ALDH1A1 (0.48) KDRFLT1KITABL1CSF1R
SCHEMBL1715321 0.85 KDR (0.46) 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 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