SCHEMBL5670169

SCHEMBL5670169

O=S(=O)(c1ccccc1Cl)N(Cc1ccccc1)C1CCCCC1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.60
SLC18A3 Q16572 3/20 0.51
HTT P42858 1/20 0.48
PGR P06401 1/20 0.44
MMP1 P03956 2/20 0.42
MMP9 P14780 2/20 0.42
MMP13 P45452 2/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
RORC P51449 1/20 0.41
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL2338691 0.83 KCNA5 (0.73) KCNA5SLC18A3MMP1MMP9MMP13
SCHEMBL2332192 0.83 KCNA5 (0.73) KCNA5SLC18A3MMP1MMP9MMP13
SCHEMBL1682280 0.72 HTR2A (0.48) HTTPGRHTR2AHTR2CRORC
SCHEMBL14854003 0.72 KCNA5 (0.59) KCNA5PSEN1PSEN2APH1BNCSTN
SCHEMBL14842776 0.72 KCNA5 (0.59) KCNA5PSEN1PSEN2APH1BNCSTN
SCHEMBL10511383 0.71 SLC18A3 (0.62) KCNA5SLC18A3HTTMMP1MMP9
SCHEMBL10573537 0.71 SLC18A3 (0.71) KCNA5SLC18A3HTTALDH1A1MEN1
SCHEMBL18386875 0.71 SLC18A3 (0.71) KCNA5SLC18A3HTTALDH1A1MEN1
SCHEMBL2341562 0.69 PSEN1 (0.57) KCNA5MMP1MMP9MMP13PSEN1
SCHEMBL2335388 0.69 PSEN1 (0.57) KCNA5MMP1MMP9MMP13PSEN1

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-1723102-A2 N-SUBSTITUTED BENZENE SULFONAMIDES Elan Pharmaceuticals, Inc. (US) 2006-11-22 EP disclosed
WO-2005090296-A2 N-SUBSTITUTED BENZENE SULFONAMIDES ELAN PHARMACEUTICALS, INC. (US) 2005-09-29 WO disclosed