SCHEMBL4055095

SCHEMBL4055095

O=C(O)NCCCCN1c2cc(Br)ccc2N(c2ccccc2)S1(O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.40
DRD2 P14416 4/20 0.40
HSP90AA1 P07900 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MAPT P10636 3/20 0.35
NAMPT P43490 1/20 0.34
ASAH1 Q13510 2/20 0.34
LMNA P02545 2/20 0.33
DRD4 P21917 2/20 0.33
TP53 P04637 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL4055092 0.80 SIGMAR1 (0.39) MAPTLMNAALDH1A1KMT2ASMN1; SMN2
SCHEMBL4056113 0.79 SLC6A2 (0.42) DRD3DRD2NAMPTLMNADRD4
SCHEMBL4944198 0.79 SLC6A2 (0.36) ALDH1A1POLB
SCHEMBL4062006 0.76 SLC6A2 (0.41) DRD3DRD2DRD4
SCHEMBL4943708 0.73 SLC6A2 (0.43) DRD3DRD2LMNADRD4KMT2A
SCHEMBL3615339 0.73 SLC6A2 (0.40)
SCHEMBL4053143 0.72 SLC6A2 (0.42) DRD3DRD2NAMPTLMNANPSR1
SCHEMBL4947338 0.72 SLC6A2 (0.43) ALDH1A1
SCHEMBL4053529 0.72 SLC6A2 (0.54) DRD3DRD2
SCHEMBL4940915 0.72 SLC6A2 (0.46) DRD3DRD2NAMPTLMNANPSR1

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