SCHEMBL2334245

SCHEMBL2334245

COc1cc(CN(C2CCCCCC2)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCCc1scnc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
LMNA P02545 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
HSD17B10 Q99714 2/20 0.51
PSEN1 P49768 6/20 0.47
PSEN2 P49810 6/20 0.47
APH1B Q8WW43 6/20 0.47
NCSTN Q92542 6/20 0.47
APH1A Q96BI3 6/20 0.47
PSENEN Q9NZ42 6/20 0.47
USP2 O75604 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HIF1A Q16665 6/20 0.46
EPAS1 Q99814 5/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
EP300 Q09472 1/20 0.44
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL2331291 1.00 ALDH1A1 (0.51) ALDH1A1LMNASMN1; SMN2HSD17B10PSEN1
SCHEMBL2336215 0.99 ALDH1A1 (0.51) ALDH1A1LMNASMN1; SMN2HSD17B10PSEN1
SCHEMBL2340928 0.98 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2HSD17B10PSEN1
SCHEMBL2334385 0.93 ALDH1A1 (0.44) ALDH1A1LMNASMN1; SMN2HSD17B10PSEN1
SCHEMBL2341197 0.90 ALDH1A1 (0.59) ALDH1A1LMNASMN1; SMN2HSD17B10PSEN1
SCHEMBL5522458 0.88 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5509267 0.88 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2339078 0.86 HPGD (0.39) ALDH1A1LMNASMN1; SMN2HSD17B10PSEN1
SCHEMBL2335244 0.85 TP53 (0.44) ALDH1A1LMNASMN1; SMN2PSEN1PSEN2
SCHEMBL2339348 0.83 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2TSHRHTT

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 2 patents. 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
EP-2360142-A1 N-substituted benzene sulfonamides Elan Pharmaceuticals Inc. (US) 2011-08-24 EP disclosed