SCHEMBL7700628

SCHEMBL7700628

COCCNc1oc(-c2ccccc2C)nc1S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.76
LMNA P02545 1/20 0.76
ALDH1A1 P00352 10/20 0.65
KDM4E B2RXH2 5/20 0.65
HTT P42858 2/20 0.65
POLB P06746 4/20 0.59
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.48
HPGD P15428 3/20 0.47
PKM P14618 1/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL7699874 0.92 MAPT (0.66) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL7698848 0.89 ALDH1A1 (0.68) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL7700870 0.86 ALDH1A1 (0.61) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL7696853 0.85 ALDH1A1 (0.62) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL7697447 0.84 ALDH1A1 (0.82) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL7695231 0.83 ALDH1A1 (0.66) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL7695048 0.83 ALDH1A1 (0.66) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL7699809 0.80 ALDH1A1 (0.74) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL7700945 0.80 ALDH1A1 (0.60) MAPTLMNAALDH1A1KDM4EHTT
SCHEMBL7700627 0.79 ALDH1A1 (0.52) MAPTLMNAALDH1A1KDM4EHTT

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-2002100842-A1 SULFONYLOXAZOLAMINES AND THEIR USE AS 5-HT6 LIGANDS MERCK PATENT GMBH (DE) 2002-12-19 WO disclosed