SCHEMBL8050665

SCHEMBL8050665

C=CN(C=C(C)C)c1ccc(/C=C2\N=C3N(C)CCC(CO)(c4ccc(F)cc4)N3C2=O)cc1OC

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 13/20 0.34
PSEN2 P49810 13/20 0.34
APH1B Q8WW43 13/20 0.34
NCSTN Q92542 13/20 0.34
APH1A Q96BI3 13/20 0.34
PSENEN Q9NZ42 13/20 0.34
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
PSMD14 O00487 1/20 0.32
ALPG P10696 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CBS P35520 1/20 0.32
AKR1B1 P15121 1/20 0.32
KDM4E B2RXH2 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL8066640 0.79 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8154915 0.73 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12920957 0.72 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8071708 0.71 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8161064 0.67 NFE2L2 (0.33)
SCHEMBL12920901 0.66 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8163797 0.65 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8160467 0.65 ACKR3 (0.32) ALDH1A1
SCHEMBL8167694 0.65 NFE2L2 (0.33) ALDH1A1KDM4E
SCHEMBL8160944 0.65 NFE2L2 (0.33) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009020580-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-02-12 WO disclosed