SCHEMBL366032

SCHEMBL366032

N#CCOc1ccc2c(C(N)=O)c3ccccc3n2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
STAT3 P40763 1/20 0.35
HTT P42858 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HK1 P19367 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
ADORA2A P29274 1/20 0.34
MAPT P10636 2/20 0.33
SLC2A1 P11166 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
SCHEMBL364900 0.89 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL365540 0.88 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366633 0.88 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL364902 0.87 ALDH1A1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL364973 0.86 KMT2A (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL364828 0.84 MCL1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL365359 0.84 ALDH1A1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366344 0.83 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL365513 0.83 NPC1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL364154 0.83 MAPT (0.39) PSEN1PSEN2APH1BNCSTNAPH1A

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