SCHEMBL365547

SCHEMBL365547

CC(=O)c1ccc2c(C#N)c3ccccc3n2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
MAPK1 P28482 3/20 0.45
STAT3 P40763 1/20 0.45
KMT2A Q03164 7/20 0.44
MEN1 O00255 6/20 0.44
APAF1 O14727 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.43
KDM4E B2RXH2 4/20 0.43
LMNA P02545 3/20 0.43
GAA P10253 3/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
NCOA3 Q9Y6Q9 2/20 0.43
GALR3 O60755 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
HPGD P15428 2/20 0.40
EGFR P00533 1/20 0.40
SRC P12931 1/20 0.40
PABPC1 P11940 1/20 0.40

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
SCHEMBL365000 0.82 HTT (0.42) ALDH1A1MAPK1STAT3KMT2AMEN1
SCHEMBL367569 0.79 SRC (0.46) ALDH1A1KMT2AKDM4ELMNAMAPT
SCHEMBL365546 0.78 KMT2A (0.64) ALDH1A1MAPK1STAT3KMT2AMEN1
SCHEMBL364542 0.77 ALDH1A1 (0.59) ALDH1A1MAPK1STAT3KMT2AMEN1
SCHEMBL366876 0.77 EGFR (0.44) ALDH1A1KMT2AKDM4EMAPTHPGD
SCHEMBL366736 0.75 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1L3MBTL1KDM4E
SCHEMBL367330 0.75 EGFR (0.46) ALDH1A1KMT2AKDM4EHPGDEGFR
Potassium Ion SCHEMBL364867 0.74 ALDH1A1 (0.40) ALDH1A1KMT2AKDM4ELMNAMAPT
SCHEMBL365640 0.74 KMT2A (0.43) ALDH1A1MAPK1STAT3KMT2AMEN1
SCHEMBL366922 0.74 L3MBTL1 (0.62) ALDH1A1MAPK1STAT3KMT2AMEN1

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