SCHEMBL7909191

SCHEMBL7909191

COC(=O)/C=C/c1ccc(-n2cnc(C)c2)c(OC)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 19/20 0.44
PSEN2 P49810 19/20 0.44
APH1B Q8WW43 19/20 0.44
NCSTN Q92542 19/20 0.44
APH1A Q96BI3 19/20 0.44
PSENEN Q9NZ42 19/20 0.44
APP P05067 2/20 0.41
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
KCNH2 Q12809 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C8 P10632 1/20 0.39

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
SCHEMBL908684 0.90 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL909162 0.89 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12891280 0.89 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL909164 0.89 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL908212 0.89 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL908215 0.89 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1238698 0.89 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL909494 0.89 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL3135696 0.88 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL3131111 0.88 PSEN1 (0.44) 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-2010098496-A1 PROCESS FOR PRODUCING TETRAHYDROTRIAZOLOPYRIDINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 WO disclosed