SCHEMBL4734712

SCHEMBL4734712

CCC1(CC)c2ccccc2S(=O)(=O)c2cc(S(=O)(=O)NCCc3cccnc3)c(C)cc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 2/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
SFRP1 Q8N474 1/20 0.38
TBXAS1 P24557 4/20 0.38
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36
BRD3 Q15059 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4734759 0.90 MEN1 (0.45) POLBALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL4731926 0.89 POLB (0.47) POLBALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL4731748 0.86 POLB (0.45) POLBALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL4733147 0.85 POLB (0.44) POLBALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL4733900 0.84 ALDH1A1 (0.41) POLBALDH1A1SMN1; SMN2SFRP1NPSR1
SCHEMBL4731445 0.84 MEN1 (0.46) PRMT5WDR77
SCHEMBL4733942 0.79 POLB (0.48) POLBALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL4734599 0.79 POLB (0.48) POLBALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL4734109 0.76 MEN1 (0.43) POLBALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL4734886 0.76 POLB (0.45) POLBALDH1A1TSHRSMN1; SMN2HTT

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