SCHEMBL2545535

SCHEMBL2545535

COc1cc(Nc2n[nH]c(CCCCC(Cl)c3ccc(S(=O)(=O)C(F)(F)F)cc3)n2)ccc1-n1cnc(C)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 0.42
PSEN2 P49810 20/20 0.42
APH1B Q8WW43 20/20 0.42
NCSTN Q92542 20/20 0.42
APH1A Q96BI3 20/20 0.42
PSENEN Q9NZ42 20/20 0.42
CYP3A4 P08684 2/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
UGT1A1 P22309 1/20 0.37
CYP2C19 P33261 1/20 0.37
KCNH2 Q12809 1/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.37

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
SCHEMBL961394 0.85 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL961940 0.76 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL961791 0.71 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL961643 0.71 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL964135 0.70 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL965110 0.69 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
Trifluoroacetic Acid SCHEMBL964702 0.66 PSEN1 (0.69) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL960675 0.65 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL965660 0.64 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL961922 0.64 PSEN1 (0.35) 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
EP-2379553-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2011-10-26 EP disclosed