SCHEMBL7141386

SCHEMBL7141386

CN(C)c1cc(Br)cc(Sc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPK1 P28482 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
PHLPP2 Q6ZVD8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 6/20 0.41
GAA P10253 2/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.39
GFER P55789 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
SCHEMBL7144606 0.87 MAPT (0.43) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL7139019 0.85 MEN1 (0.43) MAPTMEN1KMT2AMAPK1HPGD
SCHEMBL21378323 0.79 MAPT (0.50) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL7139878 0.77 ALDH1A1 (0.51) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL249094 0.76 MAPT (0.44) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL163364 0.76 MAPT (0.66) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL7144548 0.74 CA9 (0.45) MAPTKMT2AMAPK1TDP1CYP1A2
SCHEMBL7139873 0.74 LOXL2 (0.51) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL9259108 0.74 MAPT (0.54) MAPTMEN1KMT2AMAPK1TDP1
SCHEMBL30990618 0.74 MAPT (0.54) MAPTMEN1KMT2AMAPK1TDP1

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