SCHEMBL4732877

SCHEMBL4732877

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SFRP1 Q8N474 4/20 0.45
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
CCR8 P51685 9/20 0.38
WNT3 P56703 1/20 0.36
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL4730139 0.92 SFRP1 (0.45) SFRP1KMT2AMEN1CCR8WNT3
SCHEMBL4733197 0.90 CCR8 (0.43) KMT2AMEN1CCR8
SCHEMBL4730986 0.90 SFRP1 (0.46) SFRP1KMT2AMEN1CCR8WNT3
SCHEMBL4730495 0.83 SFRP1 (0.50) SFRP1KMT2AMEN1ALDH1A1
SCHEMBL4730981 0.81 SFRP1 (0.46) SFRP1KMT2AMEN1WNT3HTR1A
SCHEMBL4733195 0.81 CCR8 (0.41) KMT2AMEN1CCR8
SCHEMBL4734862 0.80 MEN1 (0.41) SFRP1KMT2AMEN1HTR1AHTR7
SCHEMBL4730903 0.79 SFRP1 (0.44) SFRP1KMT2AMEN1CCR8WNT3
SCHEMBL4730240 0.78 CCR8 (0.39) SFRP1KMT2AMEN1CCR8WNT3
SCHEMBL4784267 0.77 SFRP1 (0.48) SFRP1CCR8WNT3

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