SCHEMBL8259764

SCHEMBL8259764

CC(C)S(C(C)C)(C(C)C)n1ccc2ccc(S(=O)(=O)Cl)cc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTT P42858 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
PKM P14618 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 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
SCHEMBL24339521 0.76 HTR2A (0.49) HTR6MEN1KMT2AHTTSLC1A3
SCHEMBL793097 0.76 CYP2A6 (0.50) HTR6MEN1KMT2AHTR1ADRD2
SCHEMBL19465767 0.75 HTR6 (0.36) HTR6
SCHEMBL30329138 0.75 ALDH1A1 (0.32) HTR6MEN1KMT2AALDH1A1
SCHEMBL21515946 0.70 HTT (0.50) HTR6MEN1KMT2AHTTALDH1A1
SCHEMBL14896280 0.69 OXER1 (0.40) HTR6MEN1KMT2AHTTALDH1A1
SCHEMBL22822842 0.68 CDC7 (0.43) HTR6KMT2A
SCHEMBL31142624 0.68 HTR6 (0.31) HTR6ALDH1A1
SCHEMBL20712499 0.67 HTR6 (0.30) HTR6
SCHEMBL16156924 0.66 MAPK11 (0.44) KMT2AALDH1A1LMNAHPGDTSHR

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-2006108709-A1 3-SULFONYLAMINO-PYRROLIDINE-2-ONE DERIVATIVES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2006-10-19 WO disclosed