SCHEMBL28414822

SCHEMBL28414822

COCC(C)Nc1nnc(-c2ccc(-n3cnc(C)c3)c(OC)n2)cc1C

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 19/20 0.70
PSEN2 P49810 19/20 0.70
APH1B Q8WW43 19/20 0.70
NCSTN Q92542 19/20 0.70
APH1A Q96BI3 19/20 0.70
PSENEN Q9NZ42 19/20 0.70
APP P05067 2/20 0.70
CYP3A4 P08684 6/20 0.45
CYP2C9 P11712 5/20 0.45
CYP2C19 P33261 5/20 0.45
KCNH2 Q12809 4/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 2/20 0.42

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
SCHEMBL20021803 1.00 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28423512 0.91 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20021778 0.91 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20021972 0.91 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28418485 0.91 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20021823 0.91 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20021973 0.89 PSEN1 (0.76) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20021476 0.88 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20021852 0.87 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28418325 0.87 PSEN1 (0.74) 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