SCHEMBL4731312

SCHEMBL4731312

N#Cc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(Br)cc3C(F)(F)F)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SFRP1 Q8N474 14/20 0.52
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
SLC9A1 P19634 1/20 0.47
CYP2C19 P33261 1/20 0.47
KCNH2 Q12809 1/20 0.47
EPHX2 P34913 1/20 0.44
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
TRPV4 Q9HBA0 1/20 0.44
WNT3 P56703 1/20 0.43
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42

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
SCHEMBL4735724 0.90 SFRP1 (0.52) SFRP1CYP3A4CYP2C9SLC9A1CYP2C19
SCHEMBL4786462 0.89 SFRP1 (0.64) SFRP1WNT3
SCHEMBL4737962 0.89 SFRP1 (0.55) SFRP1WNT3
SCHEMBL4733845 0.89 SFRP1 (0.55) SFRP1WNT3
SCHEMBL4734555 0.88 SFRP1 (0.65) SFRP1SLC9A1WNT3
SCHEMBL4784461 0.87 SFRP1 (0.57) SFRP1WNT3
SCHEMBL4783487 0.87 SFRP1 (0.64) SFRP1CYP2C9SLC9A1CYP2C19WNT3
SCHEMBL4734400 0.86 SFRP1 (0.53) SFRP1SLC9A1WNT3
SCHEMBL4734495 0.85 SFRP1 (0.54) SFRP1WNT3
SCHEMBL4786605 0.85 SFRP1 (0.54) SFRP1EPHX2WNT3

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-2008061016-A1 N-SUBSTITUTED PIPERIDINYL 4 -ARYLSULFONAMIDES AS MODULATORS OF THE SECRETED FRIZZLED RELATED PROTEIN- 1 WYETH (US) 2008-05-22 WO claimed
WO-2008061016-A1 N-SUBSTITUTED PIPERIDINYL 4 -ARYLSULFONAMIDES AS MODULATORS OF THE SECRETED FRIZZLED RELATED PROTEIN- 1 WYETH (US) 2008-05-22 WO disclosed