SCHEMBL13617420

SCHEMBL13617420

Nc1cccc(NS(=O)(=O)c2cccc(CBr)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.66
POLB P06746 1/20 0.61
PKM P14618 2/20 0.57
CYP19A1 P11511 1/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
PRMT1 Q99873 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.44
HSPD1 P10809 1/20 0.44
HSPE1 P61604 1/20 0.44
CCR2 P41597 1/20 0.44

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
SCHEMBL13617879 0.87 HTR6 (0.59) HTR6POLBPKMCA1CA2
SCHEMBL28271796 0.85 HTR6 (0.83) HTR6POLBPKMCYP19A1CA1
SCHEMBL28271807 0.81 HTR6 (0.71) HTR6POLBPKMCA1CA2
SCHEMBL2723618 0.80 HTR6 (1.00) HTR6POLBPKMCA1CA2
SCHEMBL13412107 0.80 PGR (0.52) HTR6HSPD1HSPE1
Hydrochloric Acid SCHEMBL18953392 0.79 HTR6 (0.97) HTR6POLBPKMCA1CA2
SCHEMBL30737484 0.78 PGR (0.71) HTR6POLBPKMCYP19A1KMT2A
SCHEMBL30737540 0.78 HTR6 (0.71) HTR6POLBPKMCA1CA2
SCHEMBL16199439 0.78 HTR6 (0.71) HTR6POLBPKMCA1CA2
SCHEMBL28271830 0.78 HTR6 (0.71) HTR6POLBPKMCA1CA2

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