SCHEMBL14337692

SCHEMBL14337692

Cc1ccc2c(c1)[C@@H](C)N(S(=O)(=O)c1ccc(O)cc1)c1ccccc1-2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 8/20 0.47
PSEN2 P49810 8/20 0.47
APH1B Q8WW43 8/20 0.47
NCSTN Q92542 8/20 0.47
APH1A Q96BI3 8/20 0.47
PSENEN Q9NZ42 8/20 0.47
ESR1 P03372 1/20 0.46
LMNA P02545 2/20 0.43
KCNN4 O15554 1/20 0.43
KCNA3 P22001 1/20 0.43
MMP2 P08253 3/20 0.40
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL5211086 1.00 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5211073 0.87 ESR1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4953698 0.87 ESR1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4953709 0.87 ESR1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4952616 0.87 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3889922 0.87 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5211327 0.87 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5214317 0.87 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5211353 0.86 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5212936 0.84 PSEN1 (0.49) 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
US-7304073-B2 Method of treating myocardial ischemia-reperfusion injury using NF-kB inhibitors WYETH (US) 2007-12-04 US disclosed