SCHEMBL29678804

SCHEMBL29678804

COc1ccc(C(c2c[nH]c3ccccc23)S(=O)(=O)c2ccc(C)cc2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
TDP1 Q9NUW8 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
GAA P10253 5/20 0.43
MGAM O43451 3/20 0.43
SI P14410 3/20 0.43
MGAM2 Q2M2H8 3/20 0.43
NR3C1 P04150 2/20 0.42
PGR P06401 1/20 0.42
NR3C2 P08235 1/20 0.42
AR P10275 1/20 0.42
KDR P35968 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 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
SCHEMBL29678756 0.86 GAA (0.51) MAPTKMT2AMEN1TDP1GAA
SCHEMBL29678784 0.86 NR3C1 (0.56) MAPTKMT2AMEN1TDP1NPSR1
SCHEMBL29678752 0.85 MAPT (0.52) MAPTKMT2AMEN1TDP1NPSR1
SCHEMBL29678938 0.83 GAA (0.50) MAPTKMT2AMEN1GAAMGAM
SCHEMBL29678961 0.79 MAPT (0.45) MAPTKMT2AMEN1NPSR1GAA
SCHEMBL29678814 0.77 MAPT (0.55) MAPTKMT2AMEN1TDP1NPSR1
SCHEMBL29678809 0.77 NR3C1 (0.46) MAPTKMT2AMEN1NPSR1GAA
SCHEMBL29679210 0.76 MAPT (0.51) MAPTKMT2AMEN1GAAMGAM
SCHEMBL29678900 0.76 NR3C1 (0.46) MAPTKMT2AMEN1NPSR1GAA
SCHEMBL29678902 0.76 MAPT (0.51) MAPTKMT2AMEN1TDP1NPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022131722-A1 NOVEL INDOLE DERIVATIVE, METHOD FOR PREPARING SAME, AND COMPOSITION FOR IMPROVING COGNITIVE FUNCTIONS COMPRISING SAME (주)케이메디켐 2022-06-23 WO claimed
WO-2022131722-A1 NOVEL INDOLE DERIVATIVE, METHOD FOR PREPARING SAME, AND COMPOSITION FOR IMPROVING COGNITIVE FUNCTIONS COMPRISING SAME (주)케이메디켐 2022-06-23 WO disclosed