SCHEMBL5213130

SCHEMBL5213130

CCC1c2cc(F)ccc2-c2ccccc2N1S(=O)(=O)c1ccc(CCC(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 5/20 0.47
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
FFAR4 Q5NUL3 5/20 0.40
FFAR1 O14842 3/20 0.40
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL5214972 0.85 PSEN1 (0.48) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL5213126 0.83 PSEN1 (0.43) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL5213869 0.83 PSEN1 (0.43) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL5213597 0.81 PSEN1 (0.42) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL5211455 0.81 PSEN1 (0.47) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL5213228 0.81 PSEN1 (0.43) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL5286963 0.81 PSEN1 (0.46) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL5212379 0.80 PSEN1 (0.43) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL5211258 0.79 PSEN1 (0.42) BDKRB1PSEN1PSEN2APH1BNCSTN
SCHEMBL5210795 0.79 BDKRB1 (0.48) BDKRB1PSEN1PSEN2APH1BNCSTN

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-1567502-B1 SUBSTITUTED DIHYDROPHENANTHRIDINESUL FONAMIDES WYETH CORP (US) 2007-08-22 EP claimed