SCHEMBL2510148

SCHEMBL2510148

COc1cc(Nc2n[nH]c(C3(CCCCCl)SCCCS3)n2)ccc1N1C=NC(Cl)C1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.31
PSEN2 P49810 3/20 0.31
APH1B Q8WW43 3/20 0.31
NCSTN Q92542 3/20 0.31
APH1A Q96BI3 3/20 0.31
PSENEN Q9NZ42 3/20 0.31
TNK2 Q07912 1/20 0.30
PDGFRB P09619 1/20 0.30
PDGFRA P16234 1/20 0.30

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
SCHEMBL962344 0.82 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2517661 0.73 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11609242 0.59 CASP1 (0.39)
SCHEMBL12947570 0.58 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL961434 0.58 UGT1A1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL962479 0.58 UGT1A1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL960699 0.57 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL961807 0.57 UGT1A1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL964387 0.56 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL960326 0.56 UGT1A1 (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 2 patents. 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
WO-2010083141-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-22 WO disclosed