SCHEMBL8060709

SCHEMBL8060709

Cc1cn(-c2ccc(C=O)cc2O)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
PTGS2 P35354 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 4/20 0.41
AOX1 Q06278 1/20 0.41
PSEN1 P49768 10/20 0.39
PSEN2 P49810 10/20 0.39
APH1B Q8WW43 10/20 0.39
NCSTN Q92542 10/20 0.39
APH1A Q96BI3 10/20 0.39
PSENEN Q9NZ42 10/20 0.39
KCNH2 Q12809 4/20 0.39
ALDH1A3 P47895 2/20 0.38
TRIM24 O15164 1/20 0.37
HPGD P15428 1/20 0.37
ALDH5A1 P51649 1/20 0.37
ABAT P80404 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
APP P05067 1/20 0.36

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
SCHEMBL8032866 0.85 ALDH1A3 (0.50) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL758449 0.82 ALDH1A1 (0.48) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL30668617 0.82 ALDH1A1 (0.48) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL12825372 0.82 PSEN1 (0.39) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL29940580 0.80 PSEN1 (0.57) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL758550 0.80 PSEN1 (0.57) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL7841275 0.80 PDK1 (0.40) KDM4ERAB9AALDH1A1PSEN1PSEN2
SCHEMBL1238787 0.78 ALDH1A1 (0.50) KDM4EALDH1A1PSEN1PSEN2APH1B
SCHEMBL8039532 0.78 TTR (0.60) RAB9APSEN1PSEN2APH1BNCSTN
SCHEMBL7935796 0.77 TSHR (0.43) KDM4EALDH1A1PSEN1PSEN2APH1B

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