SCHEMBL7700470

SCHEMBL7700470

O=S(=O)(c1ccccc1)c1nc(-c2ccccc2C(F)(F)F)oc1NC1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
TSHR P16473 3/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
C1R P00736 1/20 0.43
ALDH1A1 P00352 6/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 5/20 0.42
KDM4E B2RXH2 3/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL7701108 0.84 KMT2A (0.62) KMT2ATSHRMEN1CYP2C19GAA
SCHEMBL7696797 0.83 ALDH1A1 (0.50) KMT2ATSHRMEN1GAAL3MBTL1
SCHEMBL7700596 0.81 L3MBTL1 (0.53) KMT2AMEN1GAAL3MBTL1LMNA
SCHEMBL7699708 0.80 L3MBTL1 (0.56) KMT2AMEN1GAAL3MBTL1LMNA
SCHEMBL7698882 0.79 ALDH1A1 (0.48) KMT2ATSHRMEN1HSD17B10GAA
SCHEMBL7702793 0.79 ALDH1A1 (0.48) KMT2ATSHRMEN1GAAL3MBTL1
SCHEMBL7700535 0.78 KMT2A (0.52) KMT2ATSHRMEN1HSD17B10GAA
SCHEMBL7698770 0.77 MAPT (0.61) KMT2ATSHRMEN1GAAALDH1A1
SCHEMBL7699365 0.76 L3MBTL1 (0.75) KMT2ATSHRMEN1HSD17B10GAA
SCHEMBL15307437 0.76 ALDH1A1 (0.66) KMT2ATSHRMEN1HSD17B10L3MBTL1

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