SCHEMBL4797405

SCHEMBL4797405

CC(C)c1ccccc1S(=O)(=O)NC1Cc2ccc(Br)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
NR1H2 P55055 8/20 0.40
DRD2 P14416 3/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
HTR6 P50406 2/20 0.39
GRIA2 P42262 4/20 0.38
CYP1A2 P05177 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL4782205 0.87 CA1 (0.50) MAPTDRD2HTR6CA1CA2
SCHEMBL4784495 0.85 CA1 (0.44) NR1H2DRD2HTR6GRIA2CYP1A2
SCHEMBL4782791 0.81 MEN1 (0.41) NR1H2DRD2HTR6GRIA2MEN1
SCHEMBL15614423 0.80 L3MBTL1 (0.51) MAPTDRD2HTR6HTR1AHTR7
SCHEMBL4786224 0.79 TBXA2R (0.41) NR1H2DRD2HTR6GRIA2HTR1A
SCHEMBL4784133 0.79 NR1H2 (0.40) NR1H2DRD2HTR6GRIA2HTR1A
SCHEMBL4782495 0.79 CA1 (0.56) MAPTDRD2HTR6CA1CA2
SCHEMBL4781653 0.78 KDM4E (0.43) NR1H2MEN1KMT2A
SCHEMBL4783093 0.78 PSEN1 (0.43) NR1H2DRD2HTR6HTR1AHTR7
SCHEMBL4781658 0.78 KDM4E (0.43) NR1H2MEN1KMT2A

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-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 claimed
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