SCHEMBL366567

SCHEMBL366567

N#CCOc1cc(O)c2c(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
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35

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
SCHEMBL367671 0.90 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL367225 0.87 KMT2A (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL364641 0.82 PLK1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366032 0.81 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL365965 0.80 ACVR2A (0.38) KDM4EHTTTSHR
SCHEMBL365256 0.79 EGFR (0.40) EGFRSRCALDH1A1KMT2AMEN1
SCHEMBL365786 0.78 ALDH1A1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366016 0.77 MAPK12 (0.39) KDM4ESMN1; SMN2HTTADORA2ATSHR
SCHEMBL367249 0.77 MEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL365106 0.77 KMT2A (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