SCHEMBL364537

SCHEMBL364537

CN(C)C(=O)c1cc(O)c2c(C(N)=O)c3ccccn3c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 3/20 0.38
BAZ2A Q9UIF9 3/20 0.38
ERN1 O75460 2/20 0.36
EGFR P00533 1/20 0.35
SRC P12931 1/20 0.35
LRRK2 Q5S007 1/20 0.34
AKR1C3 P42330 1/20 0.34
PMM2 O15305 1/20 0.33
MPI P34949 1/20 0.33
PHOSPHO1 Q8TCT1 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
APAF1 O14727 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
G6PD P11413 1/20 0.32
PABPC1 P11940 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 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
SCHEMBL366789 0.89 IDO1 (0.38) BAZ2BBAZ2AERN1EGFRSRC
SCHEMBL367221 0.87 BAZ2B (0.42) BAZ2BBAZ2AKDM4EALDH1A1MAPT
SCHEMBL365770 0.86 BAZ2B (0.45) BAZ2BBAZ2AKDM4EMEN1APAF1
SCHEMBL366817 0.85 NPC1 (0.39) BAZ2BBAZ2AERN1KDM4EALDH1A1
SCHEMBL365022 0.85 PTGS2 (0.39) BAZ2BBAZ2AKDM4EALDH1A1MAPT
SCHEMBL365916 0.82 KDM4E (0.40) BAZ2BBAZ2AERN1EGFRSRC
SCHEMBL365255 0.80 RAB9A (0.37) BAZ2BBAZ2AKDM4EMEN1APAF1
SCHEMBL367255 0.80 PTGS2 (0.42) BAZ2BBAZ2AMAPT
SCHEMBL366820 0.75 IDO1 (0.43) BAZ2BBAZ2AKDM4EALDH1A1MAPT
SCHEMBL365788 0.74 BAZ2B (0.45) BAZ2BBAZ2AKDM4E

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
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed