SCHEMBL1024457

SCHEMBL1024457

Cn1nc(-c2ccc3c(c2)C[C@H]2CC[C@@H](C3)[C@H]2NS(=O)(=O)NCC(F)(F)F)cc1-c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 17/20 0.52
PSEN2 P49810 17/20 0.52
APH1B Q8WW43 17/20 0.52
NCSTN Q92542 17/20 0.52
APH1A Q96BI3 17/20 0.52
PSENEN Q9NZ42 17/20 0.52
GRIA2 P42262 2/20 0.36
ASIC1 P78348 1/20 0.35

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
SCHEMBL5849607 0.85 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1026218 0.82 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1023750 0.82 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1843170 0.81 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13866810 0.81 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6709583 0.79 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5382814 0.74 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1024325 0.73 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6107265 0.72 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6701341 0.72 PSEN1 (0.46) 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-1560580-B1 SULFONAMIDES, SULFAMATES AND SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME (GB) 2011-01-12 EP disclosed