SCHEMBL4384956

SCHEMBL4384956

O=[N+]([O-])c1cccc2c1ccn2S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.53
HTR2A P28223 1/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH3A1 P30838 1/20 0.44
MET P08581 1/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR1F P30939 1/20 0.43
HTR7 P34969 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL3241536 0.89 HTR6 (0.61) HTR6HTR2AMEN1KMT2AMET
SCHEMBL29687030 0.89 HTR6 (0.61) HTR6HTR2AMEN1KMT2AMET
SCHEMBL30958262 0.86 HTR6 (0.53) HTR6HTR2AMEN1KMT2AALDH3A1
SCHEMBL11244064 0.86 HTR6 (0.53) HTR6HTR2AMEN1KMT2AALDH3A1
SCHEMBL4562485 0.80 HTR6 (0.59) HTR6MEN1KMT2AALDH3A1HTR1A
SCHEMBL3614305 0.77 HTR6 (0.54) HTR6MEN1KMT2AALDH3A1HTR1A
SCHEMBL5698343 0.76 MET (0.53) HTR6HTR2AMEN1KMT2AMET
SCHEMBL3613863 0.76 HTR6 (0.53) HTR6MEN1KMT2AALDH3A1HTR1A
SCHEMBL27993631 0.76 FABP4 (0.60) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL3622907 0.76 HTR6 (0.64) HTR6HTR1AHTR1DHTR1BHTR1F

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
WO-2009034581-A1 SUBSTITUTED INDOLYL COMPOUNDS AND THEIR USE AS 5-HT6 LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2009-03-19 WO disclosed