SCHEMBL2013820

SCHEMBL2013820

O=C(O)C1CCC(c2ccccc2)N(S(=O)(=O)c2ccc(Cl)cc2)C1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.69
PSEN1 P49768 2/20 0.62
PSEN2 P49810 2/20 0.62
APH1B Q8WW43 2/20 0.62
NCSTN Q92542 2/20 0.62
APH1A Q96BI3 2/20 0.62
PSENEN Q9NZ42 2/20 0.62
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
NPC1 O15118 1/20 0.48
MMP2 P08253 1/20 0.48
AKR1C3 P42330 1/20 0.46
AKR1C1 Q04828 1/20 0.46
APP P05067 5/20 0.45
CNR1 P21554 1/20 0.45
MMP3 P08254 2/20 0.43
MMP8 P22894 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NOTUM Q6P988 1/20 0.43

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
SCHEMBL2011747 0.91 ALDH1A1 (0.65) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL12629087 0.91 ALDH1A1 (0.65) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL12629080 0.84 ALDH1A1 (0.60) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL2037755 0.84 ALDH1A1 (0.58) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL2011582 0.84 ALDH1A1 (0.60) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL5252168 0.82 ALDH1A1 (1.00) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL12629084 0.82 ALDH1A1 (0.66) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL2017637 0.82 ALDH1A1 (0.66) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL12629079 0.80 ALDH1A1 (0.53) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL16917360 0.79 NPSR1 (0.53) ALDH1A1PSEN1PSEN2APH1BNCSTN

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
WO-2011073269-A1 PIPERIDINE ARYL SULFONAMIDE DERIVATIVES AS KV1.3 MODULATORS EVOTEC AG (DE) 2011-06-23 WO claimed