SCHEMBL7704682

SCHEMBL7704682

Cc1ccccc1-c1nc(S(=O)(=O)c2ccc(Br)cc2)c(NC2CCCCC2)o1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
KDM4E B2RXH2 5/20 0.58
HTT P42858 1/20 0.58
POLB P06746 2/20 0.47
MAPT P10636 7/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.43
TP53 P04637 2/20 0.42
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL7701081 0.99 ALDH1A1 (0.58) ALDH1A1KDM4EHTTPOLBMAPT
SCHEMBL7698851 0.95 ALDH1A1 (0.60) ALDH1A1KDM4EHTTPOLBMAPT
SCHEMBL7698882 0.91 ALDH1A1 (0.48) ALDH1A1KDM4EHTTMAPTGAA
SCHEMBL7702793 0.89 ALDH1A1 (0.48) ALDH1A1KDM4EHTTMAPTLMNA
SCHEMBL7696797 0.86 ALDH1A1 (0.50) ALDH1A1KDM4EHTTMAPTLMNA
SCHEMBL7695231 0.83 ALDH1A1 (0.66) ALDH1A1KDM4EHTTPOLBMAPT
SCHEMBL7698848 0.78 ALDH1A1 (0.68) ALDH1A1KDM4EHTTPOLBMAPT
SCHEMBL7697447 0.78 ALDH1A1 (0.82) ALDH1A1KDM4EHTTPOLBMAPT
SCHEMBL7700628 0.76 MAPT (0.76) ALDH1A1KDM4EHTTPOLBMAPT
SCHEMBL7700535 0.75 KMT2A (0.52) ALDH1A1KDM4EHTTMAPTLMNA

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