SCHEMBL4733900

SCHEMBL4733900

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ENPP3 O14638 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL4731773 0.87 PARG (0.37) SMN1; SMN2LMNAMEN1KMT2ATDP1
SCHEMBL4734759 0.86 MEN1 (0.45) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL4734712 0.84 POLB (0.46) ALDH1A1SMN1; SMN2POLBNPSR1SFRP1
SCHEMBL4732674 0.83 ALOX5AP (0.34) KDM4ERXFP1POLBFEN1
SCHEMBL4731973 0.82 HPGD (0.39) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL4730924 0.81 ALDH1A1 (0.32) ALDH1A1MAPK1TDP1
SCHEMBL4733963 0.79 CNR2 (0.38) LMNAMEN1KMT2ANPSR1
SCHEMBL4731366 0.79 HTT (0.36) LMNAMEN1KMT2AMAPTFEN1
SCHEMBL4731370 0.79 HTT (0.36) LMNAMEN1KMT2AMAPTFEN1
SCHEMBL4734862 0.79 MEN1 (0.41) MEN1KMT2ASFRP1

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