SCHEMBL2477150

SCHEMBL2477150

CC(CCO)CCN(CC(C)Cc1ccc(C(C)(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 3/20 0.44
PSEN1 P49768 3/20 0.38
PSEN2 P49810 3/20 0.38
APH1B Q8WW43 3/20 0.38
NCSTN Q92542 3/20 0.38
APH1A Q96BI3 3/20 0.38
PSENEN Q9NZ42 3/20 0.38
HSD11B1 P28845 1/20 0.38
BMP1 P13497 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 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
SCHEMBL5670435 1.00 PTGER2 (0.44) PTGER2PSEN1PSEN2APH1BNCSTN
SCHEMBL5670933 0.80 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5668368 0.80 CNR2 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5669319 0.80 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5670377 0.78 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2339048 0.76 PSEN1 (0.40) PTGER2PSEN1PSEN2APH1BNCSTN
SCHEMBL2339051 0.76 PSEN1 (0.40) PTGER2PSEN1PSEN2APH1BNCSTN
SCHEMBL5670884 0.75 CNR2 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5670773 0.75 TRPA1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5668975 0.74 CNR2 (0.52) 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-2374792-A1 N-substituted benzene sulfonamides Elan Pharmaceuticals Inc. (US) 2011-10-12 EP disclosed