SCHEMBL4055092

SCHEMBL4055092

CN(CCCN1c2cc(Br)ccc2N(c2ccccc2)S1(O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.39
ALDH1A1 P00352 5/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR7 P34969 1/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
TMEM97 Q5BJF2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC6A4 P31645 1/20 0.32
NPC1 O15118 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
SCHEMBL4055089 0.90 SLC6A2 (0.46) SIGMAR1SLC6A2SLC6A4
SCHEMBL4065304 0.82 SIGMAR1 (0.36) SIGMAR1ALDH1A1MAPTKMT2ASLC6A2
SCHEMBL4055886 0.81 SLC6A2 (0.42) SLC6A2SLC6A4
SCHEMBL4055095 0.80 DRD3 (0.40) ALDH1A1MAPTKMT2ALMNASMN1; SMN2
SCHEMBL4943921 0.77 SLC6A2 (0.40) SIGMAR1SLC6A2SLC6A4
SCHEMBL4060071 0.77 SLC6A2 (0.46) SLC6A2SLC6A4
SCHEMBL4062000 0.77 KDM4E (0.38) ALDH1A1KMT2ASLC6A2KDM4EL3MBTL1
SCHEMBL4944198 0.77 SLC6A2 (0.36) ALDH1A1SLC6A2L3MBTL1SLC6A4
SCHEMBL4056101 0.76 SLC6A2 (0.42) KMT2ASLC6A2KDM4ETDP1SMN1; SMN2
SCHEMBL4055078 0.76 SLC6A2 (0.35) ALDH1A1KMT2ASLC6A2KDM4EL3MBTL1

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 disclosed
WO-2008073459-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 WO disclosed