SCHEMBL4056587

SCHEMBL4056587

CCCCC(N)CCCN1c2ccccc2N(c2ccc(Cl)cc2)S1(O)O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 16/20 0.35
TP53 P04637 1/20 0.34
SLC6A3 Q01959 5/20 0.33
KCNH2 Q12809 1/20 0.33
SLC6A4 P31645 1/20 0.32
NOTCH1 P46531 1/20 0.32
RBPJ Q06330 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL4056590 0.86 SLC6A2 (0.47) SLC6A2SLC6A3KCNH2SLC6A4
SCHEMBL4055117 0.80 SLC6A2 (0.36) SLC6A2SLC6A3SLC6A4
SCHEMBL4055289 0.79 PIM1 (0.36) SLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL4939183 0.79 SLC6A2 (0.36) SLC6A2SLC6A3SLC6A4
SCHEMBL4061650 0.78 SLC6A2 (0.45) SLC6A2SLC6A3KCNH2SLC6A4
SCHEMBL4054212 0.78 SLC6A2 (0.35) SLC6A2TP53SLC6A3KCNH2SLC6A4
SCHEMBL4061668 0.77 SLC6A2 (0.55) SLC6A2SLC6A3KCNH2SLC6A4
SCHEMBL4063223 0.76 SLC6A2 (0.39) SLC6A2TP53SLC6A3KCNH2SLC6A4
SCHEMBL4054996 0.76 SLC6A2 (0.51) SLC6A2SLC6A3KCNH2SLC6A4
SCHEMBL4054219 0.76 SLC6A2 (0.36) SLC6A2TP53SLC6A3KCNH2SLC6A4

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-2061776-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE Wyeth a Corporation of the State of Delaware (US) 2009-05-27 EP claimed
WO-2008073459-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 WO claimed