SCHEMBL13285124

SCHEMBL13285124

COc1cc(Nc2nc3n(n2)CCCCC3c2ccc(N3C=NCC3)cc2)ccc1-n1cnc(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 17/20 0.66
PSEN2 P49810 17/20 0.66
APH1B Q8WW43 17/20 0.66
NCSTN Q92542 17/20 0.66
APH1A Q96BI3 17/20 0.66
PSENEN Q9NZ42 17/20 0.66
UGT1A1 P22309 1/20 0.49
KCNH2 Q12809 1/20 0.49
SLCO1B1 Q9Y6L6 1/20 0.49

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
SCHEMBL12918266 0.90 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL962025 0.89 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL961703 0.88 PSEN1 (0.84) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL965138 0.88 PSEN1 (0.84) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL961705 0.88 PSEN1 (0.84) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL965228 0.88 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12918377 0.88 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL961473 0.88 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12918272 0.87 PSEN1 (0.69) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL961487 0.86 PSEN1 (0.69) 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-2010083141-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-22 WO disclosed