SCHEMBL3423315

SCHEMBL3423315

COc1ccc(N(CC(=O)N2CCCC2c2ccc(F)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1.COc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2c2ccc(F)cc2)c2ccc(F)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.51
NFE2L2 Q16236 3/20 0.51
MAPT P10636 6/20 0.51
OXTR P30559 3/20 0.51
AVPR1A P37288 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PKM P14618 1/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
CAMK2A Q9UQM7 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL1630032 1.00 KEAP1 (0.51) KEAP1NFE2L2MAPTOXTRAVPR1A
SCHEMBL1629490 1.00 KEAP1 (0.51) KEAP1NFE2L2MAPTOXTRAVPR1A
SCHEMBL1629094 0.96 CRHBP (0.52) KEAP1NFE2L2MAPTOXTRAVPR1A
SCHEMBL1629400 0.95 OXTR (0.55) KEAP1NFE2L2MAPTOXTRAVPR1A
SCHEMBL1630757 0.94 MAPT (0.46) KEAP1NFE2L2MAPTOXTRAVPR1A
SCHEMBL1632105 0.93 CRHBP (0.56) KEAP1NFE2L2MAPTOXTRAVPR1A
SCHEMBL1630069 0.91 KMT2A (0.54) KEAP1NFE2L2MAPTOXTRAVPR1A
SCHEMBL1630074 0.91 MAPT (0.49) KEAP1NFE2L2MAPTOXTRAVPR1A
SCHEMBL1629046 0.90 OXTR (0.60) KEAP1NFE2L2MAPTOXTRAVPR1A
SCHEMBL3427036 0.90 MAPT (0.52) KEAP1NFE2L2MAPTOXTRAVPR1A

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-2245006-A1 SULFONAMIDES AS OREXIN ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP claimed
WO-2009092642-A1 SULFONAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-30 WO claimed