SCHEMBL7701848

SCHEMBL7701848

CN(C)CCCNc1oc(-c2ccccc2C(F)(F)F)nc1S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.66
L3MBTL1 Q9Y468 2/20 0.65
MAPT P10636 6/20 0.52
LMNA P02545 2/20 0.52
ALDH1A1 P00352 10/20 0.49
KDM4E B2RXH2 6/20 0.49
HTT P42858 2/20 0.49
POLB P06746 4/20 0.47
HPGD P15428 4/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.42
MEN1 O00255 2/20 0.40

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
SCHEMBL7699365 0.93 L3MBTL1 (0.75) KMT2AL3MBTL1MAPTLMNAALDH1A1
SCHEMBL7699708 0.80 L3MBTL1 (0.56) KMT2AL3MBTL1MAPTLMNAALDH1A1
SCHEMBL7703303 0.79 L3MBTL1 (0.81) KMT2AL3MBTL1MAPTLMNAALDH1A1
SCHEMBL7700596 0.78 L3MBTL1 (0.53) KMT2AL3MBTL1MAPTLMNAALDH1A1
SCHEMBL7701108 0.74 KMT2A (0.62) KMT2AL3MBTL1MAPTLMNAALDH1A1
SCHEMBL7698848 0.74 ALDH1A1 (0.68) KMT2AL3MBTL1MAPTLMNAALDH1A1
SCHEMBL7694777 0.73 MAPT (0.58) KMT2AL3MBTL1MAPTLMNAALDH1A1
SCHEMBL7700628 0.72 MAPT (0.76) KMT2AL3MBTL1MAPTLMNAALDH1A1
SCHEMBL7698770 0.72 MAPT (0.61) KMT2AMAPTALDH1A1KDM4EHTT
SCHEMBL7696680 0.71 MAPT (0.62) KMT2AMAPTALDH1A1KDM4EPOLB

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