SCHEMBL364640

SCHEMBL364640

N#CCOc1cc(OCCc2ccccc2)c2c(C(N)=O)c3ccccn3c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 3/20 0.39
FFAR1 O14842 3/20 0.36
PLK1 P53350 2/20 0.36
MAPT P10636 3/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PLA2G10 O15496 1/20 0.33
PLA2G1B P04054 1/20 0.33
PLA2G2A P14555 1/20 0.33

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
SCHEMBL366072 0.92 FFAR1 (0.37) ALDH1A1KMT2AKDM4EMEN1FFAR1
SCHEMBL365785 0.91 ALDH1A1 (0.38) ALDH1A1KMT2AKDM4EMEN1FFAR1
SCHEMBL366015 0.90 CYP11B1 (0.37) ALDH1A1KMT2AKDM4EMEN1PDE4A
SCHEMBL367248 0.90 ALDH1A1 (0.37) ALDH1A1KMT2AKDM4EMEN1FFAR1
SCHEMBL367224 0.85 ALDH1A1 (0.43) ALDH1A1KMT2AKDM4EMEN1PLK1
SCHEMBL366564 0.85 ALDH1A1 (0.38) ALDH1A1KMT2AKDM4EMEN1FFAR1
SCHEMBL364642 0.84 CYP11B1 (0.40) ALDH1A1KDM4EPDE4APDE4BPDE4C
SCHEMBL367346 0.83 ALDH1A1 (0.37) ALDH1A1KMT2AKDM4EMEN1FFAR1
SCHEMBL365102 0.83 KDM4E (0.41) ALDH1A1KMT2AKDM4EMEN1FFAR1
SCHEMBL365964 0.83 KDM4E (0.36) ALDH1A1KMT2AKDM4EMEN1SIRT2

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