SCHEMBL8083592

SCHEMBL8083592

N=C(N)NCCCCNC(=O)C1(C(=O)NCCc2cccnc2)CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FES P07332 1/20 0.47
RET P07949 1/20 0.47
MARK3 P27448 1/20 0.47
TYK2 P29597 1/20 0.47
FLT4 P35916 1/20 0.47
SYK P43405 1/20 0.47
CLK2 P49760 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
PTAFR P25105 8/20 0.43
EPHX2 P34913 2/20 0.43
EPHX1 P07099 1/20 0.43
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
RECQL P46063 1/20 0.42
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL8089921 0.86 MMP8 (0.48) EPHX2EPHX1MEN1KMT2A
SCHEMBL8098060 0.86 EPHX1 (0.36) FESRETMARK3TYK2FLT4
SCHEMBL8098074 0.85 EPHX1 (0.35) FESRETMARK3TYK2FLT4
SCHEMBL7442429 0.83 MEN1 (0.50) FESRETMARK3TYK2FLT4
SCHEMBL8083610 0.82 MMP8 (0.54) EPHX2EPHX1NPC1RAB9AKMT2A
SCHEMBL8090095 0.82 KDM4E (0.44) NPC1RAB9ASMN1; SMN2GAA
SCHEMBL30496703 0.81 CHRNA7 (0.53) HDAC2HDAC8HDAC6RECQLMEN1
SCHEMBL17198951 0.81 CHRNA7 (0.53) HDAC2HDAC8HDAC6RECQLMEN1
Hydrochloric Acid SCHEMBL28128838 0.79 CHRNA7 (0.51) HDAC2HDAC8HDAC6RECQLMEN1
SCHEMBL8083456 0.79 MMP8 (0.46) EPHX2

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