SCHEMBL2475366

SCHEMBL2475366

COc1ccc(CN(C2CC(C)CCC2C(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
PSEN1 P49768 8/20 0.49
PSEN2 P49810 8/20 0.49
APH1B Q8WW43 8/20 0.49
NCSTN Q92542 8/20 0.49
APH1A Q96BI3 8/20 0.49
PSENEN Q9NZ42 8/20 0.49
LMNA P02545 2/20 0.47
HSD17B10 Q99714 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 7/20 0.44
EP300 Q09472 1/20 0.44
USP2 O75604 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
EPAS1 Q99814 6/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL2341600 1.00 ALDH1A1 (0.55) ALDH1A1CRHBPCRHR2PSEN1PSEN2
SCHEMBL2335603 1.00 ALDH1A1 (0.55) ALDH1A1CRHBPCRHR2PSEN1PSEN2
SCHEMBL2335394 0.89 ALDH1A1 (0.64) ALDH1A1CRHBPCRHR2PSEN1PSEN2
SCHEMBL2339742 0.84 ALDH1A1 (0.58) ALDH1A1CRHBPCRHR2PSEN1PSEN2
SCHEMBL2331482 0.81 ALDH1A1 (0.83) ALDH1A1CRHBPCRHR2PSEN1PSEN2
SCHEMBL2336734 0.80 PSEN1 (0.63) ALDH1A1CRHBPCRHR2PSEN1PSEN2
SCHEMBL2336091 0.79 ALDH1A1 (0.66) ALDH1A1CRHBPCRHR2PSEN1PSEN2
SCHEMBL2337725 0.79 ALDH1A1 (0.70) ALDH1A1CRHBPCRHR2PSEN1PSEN2
SCHEMBL2338436 0.75 PSEN1 (0.56) ALDH1A1CRHBPCRHR2PSEN1PSEN2
SCHEMBL2338044 0.74 PSEN1 (0.50) ALDH1A1CRHBPCRHR2PSEN1PSEN2

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