SCHEMBL5353754

SCHEMBL5353754

O=C(O)c1sc(Nc2ccc3occc3c2)nc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 11/20 0.40
KMO O15229 1/20 0.38
PTPN1 P18031 2/20 0.38
EPM2A O95278 1/20 0.38
PTPN6 P29350 1/20 0.38
PTPN9 P43378 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN11 Q06124 1/20 0.38
HTR1B P28222 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
ADORA2B P29275 1/20 0.36
NAMPT P43490 1/20 0.36

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
SCHEMBL4929889 0.85 DHODH (0.53) DHODHMEN1NPC1CASP3RAB9A
SCHEMBL5355961 0.83 DHODH (0.53) DHODHMEN1KMT2AADORA2BKDM4E
SCHEMBL5353049 0.83 PTGS2 (0.42) DHODHMEN1NPC1RAB9AKMT2A
SCHEMBL5359345 0.75 DHODH (0.49) DHODHMEN1NPC1RAB9AKMT2A
SCHEMBL5354125 0.72 MEN1 (0.50) DHODHMEN1NPC1RAB9AKMT2A
SCHEMBL14485379 0.68 CNR1 (0.51) KMOEPM2APTPN6HTR1BMEN1
SCHEMBL789198 0.67 PLA2G7 (0.48) NPC1RAB9ANAMPTMAPT
SCHEMBL4522881 0.66 MEN1 (0.70) MEN1RAB9AKMT2AKDM4EMAPT
SCHEMBL4914862 0.64 MAPT (0.70) DHODHMEN1NPC1CASP3RAB9A
SCHEMBL4212898 0.64 FABP3 (0.55) KMOMAPT

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
WO-2007138110-A2 COMPOUNDS THAT INTERACT WITH ION CHANNELS, IN PARTICULAR WITH ION CHANNELS FROM THE KV FAMILY DEVGEN N.V. (BE) 2007-12-06 WO claimed