SCHEMBL9519607

SCHEMBL9519607

CCCCNC(=O)NC(=O)c1ccc(COC(C)=O)nc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HCAR3 P49019 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 1/20 0.37
ALOX12 P18054 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL9517061 0.88 POLB (0.49) EPHX2POLBTDP1NPC1RAB9A
SCHEMBL9516006 0.88 MEN1 (0.37) MEN1CYP1A2CYP3A4KMT2A
SCHEMBL9517052 0.84 EPHX2 (0.50) EPHX2POLBTDP1NPC1RAB9A
SCHEMBL9516196 0.78 GABRA5 (0.50) KDM4EHCAR3SMN1; SMN2MAPT
SCHEMBL9515509 0.78 NPC1 (0.50) POLBTDP1NPC1RAB9AKDM4E
SCHEMBL14819065 0.77 ALDH1A1 (0.42) TDP1KDM4EHDAC1SMN1; SMN2HTT
SCHEMBL9566843 0.75 TRPV1 (0.54) POLBNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL9516137 0.75 HDAC3 (0.45) POLBTDP1NPC1RAB9AHDAC3
SCHEMBL9517267 0.75 EPHX1 (0.51) NPC1RAB9ASMN1; SMN2
SCHEMBL11622756 0.74 MAPT (0.52) EPHX2POLBTDP1NPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0567997-A1 4- or 5-(sulf)imido- and (sulfon)amidopyridines and their pyridine-N-oxides, process for their preparation and their use as pharmaceutical HOECHST AKTIENGESELLSCHAFT (DE) 1993-11-03 EP disclosed