SCHEMBL367671

SCHEMBL367671

N#CCOc1cc(O)c2c(C(=O)O)c3ccccc3n2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HK1 P19367 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
KDM4E B2RXH2 2/20 0.36
STAT3 P40763 2/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
AGTR1 P30556 3/20 0.35
EGFR P00533 1/20 0.35
PLA2G2A P14555 1/20 0.35
MAPK1 P28482 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 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
SCHEMBL366567 0.90 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL365106 0.87 KMT2A (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL366073 0.82 ALKBH1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL364900 0.81 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL367194 0.80 GPR132 (0.38)
SCHEMBL366116 0.79 CA1 (0.41) AGTR1EGFR
SCHEMBL365213 0.78 PKM (0.39) ALDH1A1EGFRTSHR
SCHEMBL366565 0.78 ALDH1A1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL365540 0.78 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL367225 0.77 KMT2A (0.40) 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