SCHEMBL27712928

SCHEMBL27712928

COc1cc(CCNS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C)ccc1Br

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SFRP1 Q8N474 2/20 0.69
HTT P42858 2/20 0.59
ALDH1A1 P00352 5/20 0.49
POLB P06746 2/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
PKM P14618 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL4617339 0.91 SFRP1 (0.79) SFRP1HTTALDH1A1POLBPDE4B
SCHEMBL27733317 0.89 HTT (0.65) SFRP1HTTALDH1A1POLBLMNA
SCHEMBL4616841 0.86 SFRP1 (0.72) SFRP1HTTALDH1A1POLBPDE4B
SCHEMBL4617597 0.86 SFRP1 (0.72) SFRP1HTTALDH1A1POLBPDE4B
SCHEMBL4617894 0.85 SFRP1 (0.64) SFRP1HTTALDH1A1POLBPDE4B
SCHEMBL4618783 0.84 SFRP1 (0.80) SFRP1HTTALDH1A1POLBSMN1; SMN2
SCHEMBL4618646 0.84 SFRP1 (0.84) SFRP1HTTALDH1A1POLBLMNA
SCHEMBL6102774 0.83 SFRP1 (0.68) SFRP1HTTALDH1A1POLBPDE4B
SCHEMBL4618123 0.83 SFRP1 (0.84) SFRP1HTTALDH1A1POLBLMNA
SCHEMBL4616099 0.83 SFRP1 (1.00) SFRP1HTTALDH1A1POLB

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
CN-101208299-A Diarylsulfone sulfonamides and use therof WYETH CORP (US) 2008-06-25 CN claimed
CN-101208299-A Diarylsulfone sulfonamides and use therof WYETH CORP (US) 2008-06-25 CN disclosed