SCHEMBL4732291

SCHEMBL4732291

CCc1c(C)c(S(=O)(=O)NCCc2cccnc2)cc2c1CCc1ccccc1S2(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
TSHR P16473 2/20 0.37
TBXAS1 P24557 5/20 0.37
ALDH1A1 P00352 4/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
L3MBTL1 Q9Y468 1/20 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
SCHEMBL4731034 0.93 POLB (0.37) POLBTSHRTBXAS1ALDH1A1PRMT5
SCHEMBL4732951 0.88 ALDH1A1 (0.41) POLBTSHRTBXAS1ALDH1A1PRMT5
SCHEMBL4733942 0.85 POLB (0.48) POLBTSHRTBXAS1ALDH1A1PRMT5
SCHEMBL4796983 0.83 SMN1; SMN2 (0.38) POLBTSHRTBXAS1ALDH1A1PRMT5
SCHEMBL4734599 0.79 POLB (0.48) POLBTSHRTBXAS1ALDH1A1PRMT5
SCHEMBL4734886 0.76 POLB (0.45) POLBTSHRTBXAS1ALDH1A1PRMT5
SCHEMBL4733104 0.75 POLB (0.42) POLBTSHRTBXAS1ALDH1A1PRMT5
SCHEMBL4732136 0.74 MEN1 (0.47) POLBTSHRALDH1A1HTTSMN1; SMN2
SCHEMBL4782445 0.74 TSHR (0.43) TSHRTBXAS1L3MBTL1
SCHEMBL4733822 0.74 SFRP1 (0.50) POLBALDH1A1HTTSMN1; SMN2NPSR1

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