SCHEMBL13618096

SCHEMBL13618096

Nc1ccccc1NS(=O)(=O)c1cccc(CBr)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.48
PTGES2 Q9H7Z7 3/20 0.46
POLB P06746 1/20 0.43
ALDH1A1 P00352 2/20 0.42
PRMT1 Q99873 1/20 0.42
CYP19A1 P11511 1/20 0.41
PLAU P00749 1/20 0.41
CCR2 P41597 2/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL13412108 0.80 SLC22A12 (0.46) HTR6PTGES2MEN1KMT2A
SCHEMBL13617879 0.78 HTR6 (0.59) HTR6POLBKMT2A
SCHEMBL30737452 0.78 ALDH1A1 (0.58) HTR6ALDH1A1RECQLMEN1KMT2A
SCHEMBL2068236 0.78 ALDH1A1 (0.58) HTR6ALDH1A1RECQLMEN1KMT2A
SCHEMBL30737455 0.78 PGR (0.52) PTGES2POLBKMT2A
SCHEMBL1260477 0.78 PTGES2 (0.47) HTR6PTGES2POLBALDH1A1PLAU
SCHEMBL7901144 0.78 KMT2A (0.62) POLBALDH1A1MEN1KMT2A
SCHEMBL30737349 0.78 PGR (0.62) PTGES2CCR2
SCHEMBL13617420 0.77 HTR6 (0.66) HTR6POLBPRMT1CYP19A1CCR2
Hydrochloric Acid SCHEMBL29885455 0.76 ALDH1A1 (0.56) HTR6ALDH1A1RECQLMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817296-B1 POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-11-04 EP disclosed