SCHEMBL28423484

SCHEMBL28423484

COc1nc(-c2cc(C)c(NC(C)c3ccc(C)cc3)nn2)ccc1-n1cnc(C)c1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 19/20 0.80
PSEN2 P49810 19/20 0.80
APH1B Q8WW43 19/20 0.80
NCSTN Q92542 19/20 0.80
APH1A Q96BI3 19/20 0.80
PSENEN Q9NZ42 19/20 0.80
APP P05067 2/20 0.80
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL20021771 1.00 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20021770 0.94 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28419471 0.94 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29550134 0.93 PSEN1 (0.87) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17714376 0.93 PSEN1 (0.87) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17714396 0.93 PSEN1 (0.78) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17714392 0.93 PSEN1 (0.78) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17714377 0.93 PSEN1 (0.87) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17723293 0.93 PSEN1 (0.87) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20021873 0.93 PSEN1 (0.80) 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
CN-107406423-B Potent gamma-secretase modulators 通用医疗公司 2020-06-16 CN disclosed