SCHEMBL4733638

SCHEMBL4733638

O=S(=O)(NCCc1cccnc1)c1cc2c(cc1Cl)CCc1ccc(F)cc1S2(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 8/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.39
NAMPT P43490 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
NPY5R Q15761 1/20 0.37
ATM Q13315 1/20 0.37
MGAM O43451 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
SCHEMBL4730493 0.89 ALDH1A1 (0.40) PKMMGAM
SCHEMBL4734133 0.87 TBXAS1 (0.40) TBXAS1POLBNPY5R
SCHEMBL4730979 0.80 TBXAS1 (0.42) TBXAS1POLBNPY5R
SCHEMBL4733942 0.79 POLB (0.48) TBXAS1POLBPRMT5WDR77
SCHEMBL4732031 0.76 ALDH1A1 (0.41) PKM
SCHEMBL4732619 0.75 TAAR1 (0.43) POLB
SCHEMBL4734755 0.75 POLB (0.46) TBXAS1POLBPKMNAMPTPRMT5
SCHEMBL4732410 0.75 TBXAS1 (0.40) TBXAS1POLBNAMPTPRMT5WDR77
SCHEMBL4796983 0.74 SMN1; SMN2 (0.38) TBXAS1POLBPRMT5WDR77NPY5R
SCHEMBL4734005 0.74 TBXAS1 (0.39) TBXAS1POLBNAMPT

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