SCHEMBL4730694

SCHEMBL4730694

NS(=O)(=O)c1cc(S(=O)(=O)c2ccccc2)cc(C2CCN(C(=O)c3ccc(N4CCOCC4)nc3)CC2)c1C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SFRP1 Q8N474 10/20 0.63
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ADRA1A P35348 4/20 0.46
PIK3CA P42336 3/20 0.42
RBP4 P02753 1/20 0.41
PIK3C3 Q8NEB9 2/20 0.40

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
SCHEMBL4731118 0.80 SFRP1 (0.48) SFRP1RBP4
SCHEMBL4638272 0.80 SFRP1 (0.59) SFRP1ALDH1A1KDM4ERBP4
SCHEMBL4730690 0.78 SFRP1 (1.00) SFRP1
SCHEMBL4637352 0.76 SFRP1 (0.63) SFRP1
SCHEMBL4637488 0.75 PIK3CA (0.47) SFRP1KDM4EPIK3CAPIK3C3
SCHEMBL4638020 0.73 HTR2A (0.47) SFRP1
SCHEMBL4618262 0.72 SFRP1 (1.00) SFRP1
SCHEMBL4618663 0.69 ALDH1A1 (0.78) SFRP1ALDH1A1KDM4EPOLBHPGD
SCHEMBL4618172 0.68 ALDH1A1 (0.64) SFRP1ALDH1A1KDM4EPOLBHPGD
SCHEMBL29944351 0.67 HPGD (1.00) ALDH1A1KDM4EPOLBHPGDALOX15

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
EP-1879859-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF Wyeth a Corporation of the State of Delaware (US) 2008-01-23 EP disclosed
WO-2006124875-A2 DIARYLSULFONE SULFONAMIDES AND USE THEROF WYETH (US) 2006-11-23 WO disclosed