SCHEMBL8098074

SCHEMBL8098074

N=C(N)NCCC[C@H](NC(=O)C1(C(=O)NCCc2cccnc2)CCCC1)OBO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.35
EPHX2 P34913 1/20 0.35
HDAC8 Q9BY41 2/20 0.35
FES P07332 1/20 0.35
RET P07949 1/20 0.35
MARK3 P27448 1/20 0.35
TYK2 P29597 1/20 0.35
FLT4 P35916 1/20 0.35
SYK P43405 1/20 0.35
CLK2 P49760 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
PTAFR P25105 5/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
RECQL P46063 1/20 0.33
NAMPT P43490 3/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL8098060 0.94 EPHX1 (0.36) EPHX1EPHX2HDAC8FESRET
SCHEMBL8091395 0.90 CYP2A6 (0.37) EPHX1EPHX2HDAC8FESRET
SCHEMBL8090189 0.90 MMP8 (0.37) EPHX1MEN1KMT2A
SCHEMBL8095286 0.86 NPY4R (0.38)
SCHEMBL8095221 0.86 MMP8 (0.41) EPHX2KMT2A
SCHEMBL8083592 0.85 FES (0.47) EPHX1EPHX2HDAC8FESRET
SCHEMBL8091593 0.84 MTNR1A (0.41) RAB9ALMNA
SCHEMBL8091392 0.84 CYP2A6 (0.38) EPHX1EPHX2HDAC8FESRET
SCHEMBL8095158 0.84 MMP8 (0.36) EPHX2
SCHEMBL8090174 0.84 F2 (0.39) EPHX1MEN1KMT2A

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-0792883-B1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-12-20 EP disclosed
EP-0792883-A1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-09-03 EP disclosed