SCHEMBL10316971

SCHEMBL10316971

CC(C)(C)OC(=O)N(CCN(C(=O)O)c1ccnc(-n2ccc3cc(NS(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc32)n1)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.37
PSEN1 P49768 4/20 0.36
PSEN2 P49810 4/20 0.36
APH1B Q8WW43 4/20 0.36
NCSTN Q92542 4/20 0.36
APH1A Q96BI3 4/20 0.36
PSENEN Q9NZ42 4/20 0.36
NR1H2 P55055 1/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2D6 P10635 2/20 0.34
HTR6 P50406 6/20 0.33
BRD1 O95696 2/20 0.33
BRPF1 P55201 2/20 0.33
BRD4 O60885 1/20 0.33
BRD9 Q9H8M2 1/20 0.33
BRPF3 Q9ULD4 1/20 0.33
STS P08842 1/20 0.32
ACLY P53396 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
SCHEMBL3300783 0.96 F2 (0.38) F2PSEN1PSEN2APH1BNCSTN
SCHEMBL10317266 0.88 F2 (0.38) F2PSEN1PSEN2APH1BNCSTN
SCHEMBL10318655 0.87 F2 (0.36) F2PSEN1PSEN2APH1BNCSTN
SCHEMBL3298096 0.86 F2 (0.39) F2PSEN1PSEN2APH1BNCSTN
SCHEMBL3298929 0.82 F2 (0.35) F2PSEN1PSEN2APH1BNCSTN
SCHEMBL4553849 0.81 F2 (0.32) F2
SCHEMBL13390112 0.80 DGAT1 (0.32) F2PSEN1PSEN2APH1BNCSTN
SCHEMBL13409455 0.80 F2 (0.30) F2
SCHEMBL3295640 0.79 DGAT1 (0.30) F2
SCHEMBL3301345 0.77 STS (0.43) 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-2121600-B1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2012-07-18 EP disclosed