SCHEMBL5718682

SCHEMBL5718682

N#Cc1ccc(CONC(=O)c2cnccc2NCc2ccncc2)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE5A O76074 2/20 0.38
SCN9A Q15858 1/20 0.37
EPHX2 P34913 1/20 0.37
PPARG P37231 1/20 0.37
KDR P35968 4/20 0.36
FLT1 P17948 3/20 0.36
GALR3 O60755 1/20 0.36
NR2F2 P24468 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
NAMPT P43490 1/20 0.36
ABCC9 O60706 1/20 0.35
P2RX7 Q99572 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL1714430 0.91 KIT (0.43) MEN1KMT2AL3MBTL1PDE5ASCN9A
SCHEMBL5718662 0.85 PDE5A (0.43) PDE5AKDRFLT1
SCHEMBL1715778 0.84 KDR (0.53) KDRFLT1P2RX7
SCHEMBL1715441 0.80 KDM4C (0.48) PDE5ASCN9AKDRFLT1KDM4E
SCHEMBL1715297 0.80 KDR (0.45) SCN9AKDRFLT1GSK3BALDH1A1
SCHEMBL1715142 0.80 KDR (0.43) SCN9AKDRFLT1GSK3AGSK3B
SCHEMBL1715615 0.78 POLB (0.44) PDE5AKDRFLT1NAMPTALDH1A1
SCHEMBL1714589 0.78 KDR (0.43) KMT2AL3MBTL1SCN9AKDRFLT1
SCHEMBL1714601 0.78 NPC1 (0.50) MEN1KMT2AL3MBTL1KDRFLT1
SCHEMBL5718686 0.77 POLB (0.39) KMT2AL3MBTL1KDRFLT1GSK3A

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