SCHEMBL7142899

SCHEMBL7142899

O=[N+]([O-])c1ccc(Sc2cc([N+](=O)[O-])cc(Br)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 2/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
RECQL P46063 1/20 0.43
HTT P42858 3/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GFER P55789 1/20 0.40
NQO2 P16083 1/20 0.40
PTGIR P43119 1/20 0.40
DHFR P00374 1/20 0.39
PDE7A Q13946 2/20 0.38
PDE4B Q07343 1/20 0.38

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
SCHEMBL7136659 0.85 MAPT (0.56) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL7137064 0.80 MAPT (0.48) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL7137073 0.80 MAPT (0.44) MAPTMEN1KMT2AALDH1A1MAPK1
Fluoride SCHEMBL29135589 0.79 MAPT (0.76) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL7138708 0.79 MAPT (0.49) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL3328543 0.77 MAPT (0.79) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL4163474 0.77 MAPT (0.79) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL163364 0.76 MAPT (0.66) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL8934649 0.75 MAPT (0.76) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL8934655 0.75 MAPT (0.76) MAPTMEN1KMT2AALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0930302-B1 Benzosulfone derivatives HOFFMANN LA ROCHE (CH) 2003-04-02 EP disclosed
US-5990105-A POSSESS A SELECTIVE AFFINITY TO 5HT-6 RECEPTORS; TREATING OR PREVENTING PSYCHOSES, SCHIZOPHRENIA, MANIC DEPRESSIONS, DEPRESSIONS, NEUROLOGICAL DISORDERS, PARKINSON'S, AMYOTROPHIC LATERAL SCLEROSIS, ALZHEIMER'S AND HUNTINGTON'S DISEASE HOFFMANN-LA ROCHE INC. (US) 1999-11-23 US disclosed
EP-0930302-A2 Benzosulfone derivatives F.HOFFMANN-LA ROCHE AG (CH) 1999-07-21 EP disclosed