SCHEMBL4730495

SCHEMBL4730495

CCC1(CC)c2ccccc2S(O)(O)c2cc(S(=O)(=O)NC3CCN(S(=O)(=O)c4cccc(C(=O)O)c4)CC3)c(C)cc21

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SFRP1 Q8N474 2/20 0.50
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
EPHX2 P34913 1/20 0.42
MAPT P10636 1/20 0.40
IL1RN P18510 1/20 0.40
APEX1 P27695 1/20 0.40
PKM P14618 1/20 0.39

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
SCHEMBL4730491 0.93 SFRP1 (0.50) SFRP1ALDH1A1KMT2AMEN1EPHX2
SCHEMBL4733197 0.84 CCR8 (0.43) KMT2AMEN1
SCHEMBL4732877 0.83 SFRP1 (0.45) SFRP1ALDH1A1KMT2AMEN1
SCHEMBL4733261 0.82 SFRP1 (0.51) SFRP1ALDH1A1KMT2AMEN1EPHX2
SCHEMBL4733195 0.76 CCR8 (0.41) KMT2AMEN1
SCHEMBL4730139 0.75 SFRP1 (0.45) SFRP1KMT2AMEN1
SCHEMBL4734751 0.75 SFRP1 (0.50) SFRP1ALDH1A1KMT2AMEN1EPHX2
SCHEMBL4733258 0.74 SFRP1 (0.51) SFRP1ALDH1A1KMT2AMEN1EPHX2
SCHEMBL4730240 0.73 CCR8 (0.39) SFRP1KMT2AMEN1
SCHEMBL4730986 0.73 SFRP1 (0.46) SFRP1ALDH1A1KMT2AMEN1

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