SCHEMBL4784133

SCHEMBL4784133

CC(=O)OOc1ccc2c(c1)CC(NS(=O)(=O)c1ccccc1C(C)C)C2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 15/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GRIA2 P42262 2/20 0.39
DRD2 P14416 2/20 0.38
HTR6 P50406 2/20 0.38
NR1H3 Q13133 1/20 0.37
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36

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
SCHEMBL4782791 0.89 MEN1 (0.41) NR1H2MEN1KMT2AGRIA2DRD2
SCHEMBL4782323 0.84 NR1H2 (0.47) NR1H2MEN1KMT2ANR1H3
SCHEMBL4783093 0.82 PSEN1 (0.43) NR1H2DRD2HTR6HTR1AHTR7
SCHEMBL4784495 0.81 CA1 (0.44) NR1H2MEN1KMT2AGRIA2DRD2
SCHEMBL4782205 0.80 CA1 (0.50) MEN1KMT2ADRD2HTR6HTR1A
SCHEMBL4797405 0.79 MAPT (0.43) NR1H2MEN1KMT2AGRIA2DRD2
SCHEMBL4781653 0.76 KDM4E (0.43) NR1H2MEN1KMT2ANR1H3
SCHEMBL4781658 0.76 KDM4E (0.43) NR1H2MEN1KMT2ANR1H3
SCHEMBL4902040 0.76 NR1H2 (0.38) NR1H2MEN1KMT2ANR1H3
SCHEMBL4781505 0.76 TBXA2R (0.42) NR1H2MEN1KMT2AGRIA2DRD2

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-2008061006-A1 SUBSTITUTED INDAN-2-YL, TETRAHYDRONAPHTHALEN-2-YL, OR DIHYDR0-2H-CHR0MEN-3-YL ARYLSULFONAMIDES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 WO disclosed