SCHEMBL4782445

SCHEMBL4782445

Cc1c(C)c2c(c(C)c1S(=O)(=O)NCCc1cccnc1)Cc1ccccc1S2(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
TBXAS1 P24557 11/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TBXA2R P21731 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
SCHEMBL4784263 0.90 MEN1 (0.47) TSHRL3MBTL1PKMMEN1KMT2A
SCHEMBL4734599 0.79 POLB (0.48) TSHRTBXAS1PKMMEN1KMT2A
SCHEMBL4733942 0.76 POLB (0.48) TSHRTBXAS1L3MBTL1
SCHEMBL4732951 0.74 ALDH1A1 (0.41) TSHRTBXAS1
SCHEMBL4732291 0.74 POLB (0.38) TSHRTBXAS1L3MBTL1
SCHEMBL4731034 0.73 POLB (0.37) TSHRTBXAS1L3MBTL1
SCHEMBL4734886 0.72 POLB (0.45) TSHRTBXAS1
SCHEMBL4796983 0.71 SMN1; SMN2 (0.38) TSHRTBXAS1
SCHEMBL4781080 0.70 MEN1 (0.35) MEN1KMT2A
SCHEMBL4733104 0.70 POLB (0.42) TSHRTBXAS1L3MBTL1

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