SCHEMBL3531571

SCHEMBL3531571

CCN(CC)CCOc1cccc2c(S(=O)(=O)c3ccccc3)nn(C)c12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.42
KDM4E B2RXH2 4/20 0.41
HTR1B P28222 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
HTR1D P28221 1/20 0.41
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD3 P35462 1/20 0.41
ATM Q13315 2/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
PTPN1 P18031 1/20 0.37
HPGD P15428 1/20 0.36
ABCB1 P08183 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL3538879 0.87 HTR1B (0.47) HTR6KDM4EHTR1BALDH1A1HTR1D
SCHEMBL3531498 0.83 HTR1B (0.48) HTR6HTR1B
SCHEMBL3535823 0.83 HTR6 (0.50) HTR6KDM4EHTR1BALDH1A1LMNA
SCHEMBL3531502 0.83 HASPIN (0.39) HTR6HTR1BABCB1
SCHEMBL3528627 0.82 TDP1 (0.47) HTR6KDM4EDRD2DRD1DRD3
SCHEMBL3535899 0.81 TP53 (0.43) HTR6KDM4EHTR1BALDH1A1LMNA
SCHEMBL3531503 0.81 ABCB1 (0.36) HTR6DRD2ABCB1
SCHEMBL3534079 0.78 HTR1B (0.43) HTR6KDM4EHTR1BALDH1A1LMNA
SCHEMBL3532652 0.76 HTR1B (0.52) HTR6HTR1BHTR1DDRD2DRD3
SCHEMBL3529159 0.71 HTR1B (0.48) HTR6HTR1BHTR1DDRD2DRD3

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
US-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 US claimed