SCHEMBL2343374

SCHEMBL2343374

CC(=O)NC1=N[C@@](C)(c2ccc(S(N)(=O)=O)c(Br)c2)CS1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.36
CA1 P00915 6/20 0.36
CA9 Q16790 3/20 0.36
ALDH1A1 P00352 2/20 0.36
BACE1 P56817 5/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
CA7 P43166 4/20 0.34
PIK3C3 Q8NEB9 2/20 0.34
APP P05067 1/20 0.33
CA4 P22748 2/20 0.33
CA12 O43570 1/20 0.32
HTT P42858 1/20 0.32
KIF11 P52732 1/20 0.32

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
SCHEMBL48744 0.74 PIP4K2A (0.39) ALDH1A1HTT
SCHEMBL3178800 0.72 BACE1 (0.46) BACE1APP
SCHEMBL3178808 0.72 BACE1 (0.46) BACE1APP
SCHEMBL1421249 0.67 BACE1 (0.53) BACE1APP
SCHEMBL1421251 0.67 BACE1 (0.53) BACE1APP
SCHEMBL4431454 0.64 KIF11 (0.34) KIF11
SCHEMBL3177587 0.61 BACE1 (0.40) BACE1APP
SCHEMBL3177593 0.61 BACE1 (0.40) BACE1APP
SCHEMBL8103599 0.60 CA2 (0.47) CA2CA1CA9ALDH1A1CA7
SCHEMBL3188758 0.59 BACE1 (0.47) BACE1APP

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-1480962-B1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS NOVARTIS AG (CH) 2011-08-24 EP claimed