SCHEMBL15049685

SCHEMBL15049685

COc1cc(N(C(=N)SC)C(=O)C2(CCCCCl)SCCCS2)ccc1-n1cnc(Cl)c1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 7/20 0.32
PSEN2 P49810 7/20 0.32
APH1B Q8WW43 7/20 0.32
NCSTN Q92542 7/20 0.32
APH1A Q96BI3 7/20 0.32
PSENEN Q9NZ42 7/20 0.32
KCNH2 Q12809 5/20 0.32
F11 P03951 2/20 0.31
KLKB1 P03952 2/20 0.31

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
SCHEMBL963450 0.77 F11 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL960931 0.68 F11 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL962344 0.65 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL961832 0.65 UGT1A1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
Iodide SCHEMBL960829 0.64 UGT1A1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL155131 0.61 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL155570 0.60 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15062288 0.59 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12918119 0.59 NOS3 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL511504 0.59 NR4A1 (0.49) 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-B1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2013-06-26 EP disclosed