SCHEMBL2576349

SCHEMBL2576349

CC1C[C@@]2(CCN1C(=O)OCc1ccccc1)C(=O)C(C)(C)S(=O)(=O)N2c1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 12/20 0.43
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
PKM P14618 1/20 0.37
SIGMAR1 Q99720 4/20 0.37
TMEM97 Q5BJF2 3/20 0.37

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
SCHEMBL7714228 1.00 BACE1 (0.43) BACE1PDK1PDK2PDK3PDK4
SCHEMBL7715536 0.87 BACE1 (0.43) BACE1PDK1PDK2PDK3PDK4
SCHEMBL2554666 0.87 BACE1 (0.43) BACE1PDK1PDK2PDK3PDK4
SCHEMBL2556177 0.87 BACE1 (0.43) BACE1PDK1PDK2PDK3PDK4
SCHEMBL15010485 0.86 BACE1 (0.41) BACE1
SCHEMBL14686362 0.86 BACE1 (0.41) BACE1
SCHEMBL7713454 0.85 BACE1 (0.43) BACE1PDK1PDK2PDK3PDK4
SCHEMBL2552556 0.85 BACE1 (0.43) BACE1PDK1PDK2PDK3PDK4
SCHEMBL15024588 0.84 BACE1 (0.42) BACE1PDK1PDK2PDK3PDK4
SCHEMBL2557967 0.84 BACE1 (0.42) BACE1PDK1PDK2PDK3PDK4

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-2011125006-A2 NOVEL SULTAM COMPOUNDS PFIZER INC. (US) 2011-10-13 WO disclosed