SCHEMBL6499030

SCHEMBL6499030

COc1cc2c(cc1S(=O)(=O)c1ccc(N3CCN(c4ccc(C#N)cc4)CC3)cc1)CCN(C)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 2/20 0.46
NOD1 Q9Y239 2/20 0.46
NOD2 Q9HC29 1/20 0.46
HTR6 P50406 7/20 0.45
DRD3 P35462 3/20 0.45
DRD2 P14416 2/20 0.45
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
MAPT P10636 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
TNIK Q9UKE5 1/20 0.41
SLC6A9 P48067 1/20 0.41
KCNH2 Q12809 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CHEK1 O14757 1/20 0.40

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
SCHEMBL6502583 0.87 LMNA (0.48) HTR6DRD3DRD2HTR2AHTR2C
SCHEMBL6510748 0.87 HTR6 (0.46) HTR6DRD3DRD2HTR2AHTR2C
SCHEMBL6500880 0.87 LMNA (0.51) HTR6DRD3DRD2MAPTGAA
SCHEMBL6504564 0.86 HTR6 (0.54) HTR6DRD3DRD2HTR2AHTR2C
SCHEMBL6509242 0.86 MAOB (0.54) HTR6HTR2AHTR2CMAPTKDM4E
Hydrochloric Acid SCHEMBL6504357 0.85 MAOB (0.53) HTR6HTR2AHTR2CMAPTKDM4E
SCHEMBL6508620 0.83 MAPT (0.49) HTR6DRD3DRD2HTR2AHTR2C
SCHEMBL6507562 0.83 MAPT (0.57) HTR6DRD2MAPTCA1CA2
SCHEMBL6511504 0.83 DRD2 (0.52) DRD3DRD2MAPTGAAALDH1A1
SCHEMBL6508601 0.83 TNF (0.48) TNFNOD1NOD2MAPTCA1

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-2005014578-A1 PHENYLSULFONYL COMPOUNDS AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-02-17 WO claimed
WO-2005014578-A1 PHENYLSULFONYL COMPOUNDS AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-02-17 WO disclosed