SCHEMBL2514488

SCHEMBL2514488

COc1cc(NC(S)=NC(=O)C(CCCCCl)c2ccc(F)cc2)ccc1-c1nc(C)no1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
F11 P03951 7/20 0.38
KLKB1 P03952 7/20 0.38
MAPT P10636 5/20 0.37
GAA P10253 3/20 0.37
TP53 P04637 2/20 0.37
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
IMPDH2 P12268 1/20 0.33

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
SCHEMBL961340 0.90 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2514939 0.85 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2514937 0.80 HCRTR1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL963212 0.79 F11 (0.36) F11KLKB1MAPTHSD17B10IMPDH2
SCHEMBL960321 0.73 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL963213 0.73 AAK1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2487527 0.68 AAK1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL961713 0.65 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL960534 0.65 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL960585 0.64 PSEN1 (0.42) 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