SCHEMBL4733987

SCHEMBL4733987

O=S(=O)(NC1CCNCC1)c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SFRP1 Q8N474 6/20 0.58
WNT3 P56703 2/20 0.58
CNR2 P34972 4/20 0.44
CNR1 P21554 3/20 0.44
EPHX2 P34913 1/20 0.43
CCR8 P51685 1/20 0.41
BRD4 O60885 1/20 0.41
BRD2 P25440 1/20 0.41
BRD3 Q15059 1/20 0.41
SLC6A2 P23975 5/20 0.41
SLC6A4 P31645 5/20 0.41
SLC6A3 Q01959 1/20 0.40
IDH2 P48735 1/20 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
SCHEMBL4735335 0.86 SFRP1 (0.57) SFRP1WNT3CNR2CNR1CCR8
SCHEMBL4735582 0.86 SFRP1 (0.57) SFRP1WNT3CNR2CNR1
Hydrochloric Acid SCHEMBL4733123 0.85 SFRP1 (0.56) SFRP1WNT3CNR2CNR1CCR8
SCHEMBL4731294 0.84 SFRP1 (0.55) SFRP1WNT3CNR2CCR8
SCHEMBL4408518 0.83 DPP4 (0.52) SFRP1WNT3CCR8BRD4BRD2
SCHEMBL4733733 0.83 SFRP1 (0.54) SFRP1WNT3CNR2CNR1CCR8
SCHEMBL4732944 0.83 SFRP1 (0.62) SFRP1WNT3CNR2CNR1CCR8
SCHEMBL4731736 0.83 SFRP1 (0.54) SFRP1WNT3CNR2CNR1EPHX2
SCHEMBL4734318 0.83 SFRP1 (0.54) SFRP1WNT3CNR2CNR1CCR8
SCHEMBL4616410 0.82 SFRP1 (0.68) SFRP1WNT3CCR8

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