SCHEMBL4731034

SCHEMBL4731034

CCCCc1c(C)c(S(=O)(=O)NCCc2cccnc2)cc2c1CCc1ccccc1S2(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
TSHR P16473 3/20 0.36
TBXAS1 P24557 5/20 0.36
HTT P42858 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
ALDH1A1 P00352 3/20 0.35
NAMPT P43490 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34

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
SCHEMBL4732291 0.93 POLB (0.38) POLBTSHRTBXAS1HTTSMN1; SMN2
SCHEMBL4732951 0.86 ALDH1A1 (0.41) POLBTSHRTBXAS1HTTSMN1; SMN2
SCHEMBL4733942 0.83 POLB (0.48) POLBTSHRTBXAS1HTTSMN1; SMN2
SCHEMBL4796983 0.82 SMN1; SMN2 (0.38) POLBTSHRTBXAS1HTTSMN1; SMN2
SCHEMBL4734599 0.78 POLB (0.48) POLBTSHRTBXAS1HTTSMN1; SMN2
SCHEMBL4733104 0.75 POLB (0.42) POLBTSHRTBXAS1HTTSMN1; SMN2
SCHEMBL4734886 0.75 POLB (0.45) POLBTSHRTBXAS1HTTSMN1; SMN2
SCHEMBL4732136 0.73 MEN1 (0.47) POLBTSHRHTTSMN1; SMN2LMNA
SCHEMBL4782445 0.73 TSHR (0.43) TSHRTBXAS1L3MBTL1
SCHEMBL4733822 0.72 SFRP1 (0.50) POLBHTTSMN1; SMN2ALDH1A1TDP1

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 claimed