SCHEMBL4733452

SCHEMBL4733452

CC(C)c1cc2c(cc1S(=O)(=O)NCC1CCOCC1)S(=O)(=O)c1cc(F)ccc1CC2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.39
NAMPT P43490 1/20 0.36
HTR7 P34969 2/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR6 P50406 1/20 0.35
CNR1 P21554 4/20 0.35
NPY5R Q15761 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.33
IDH2 P48735 1/20 0.33

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
SCHEMBL4731336 0.93 CNR2 (0.39) CNR2NAMPTHTR7HTR1ADRD2
SCHEMBL4732339 0.91 NAMPT (0.38) CNR2NAMPT
SCHEMBL4731657 0.86 HTR1A (0.38) NAMPTHTR7HTR1ADRD2HTR6
SCHEMBL4732731 0.86 CNR2 (0.38) CNR2HTR7HTR1ADRD2HTR6
SCHEMBL4729817 0.82 TSHR (0.43) CNR2KMT2A
SCHEMBL4730503 0.81 SMN1; SMN2 (0.47) KMT2A
SCHEMBL4733955 0.81 CYP3A4 (0.46) KMT2A
SCHEMBL4735405 0.79 HTR1A (0.39) HTR7HTR1ADRD2HTR6MEN1
SCHEMBL4732619 0.78 TAAR1 (0.43) KMT2ATP53
SCHEMBL4732031 0.76 ALDH1A1 (0.41) MEN1KMT2ATP53

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-2008061029-A1 ARYL SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 WO claimed
WO-2008061029-A1 ARYL SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 WO disclosed