SCHEMBL28416628

SCHEMBL28416628

COc1cc(C(C)Nc2nnc(-c3ccc(-n4cnc(C)c4)c(OC)n3)cc2C)ccc1F

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.80
PSEN1 P49768 19/20 0.79
PSEN2 P49810 19/20 0.79
APH1B Q8WW43 19/20 0.79
NCSTN Q92542 19/20 0.79
APH1A Q96BI3 19/20 0.79
PSENEN Q9NZ42 19/20 0.79

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
SCHEMBL20021808 1.00 APP (0.80) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL28417268 0.93 APP (0.82) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL20021833 0.93 APP (0.82) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL17714439 0.93 APP (0.85) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL17714440 0.93 APP (0.85) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL17714377 0.90 PSEN1 (0.87) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL17723293 0.90 PSEN1 (0.87) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL17714376 0.90 PSEN1 (0.87) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL29550134 0.90 PSEN1 (0.87) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL20021801 0.90 APP (0.77) APPPSEN1PSEN2APH1BNCSTN

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
CN-107406423-B Potent gamma-secretase modulators 通用医疗公司 2020-06-16 CN disclosed