Sugi Predict

Sugi Predict / Compounds / SCHEMBL4730935

SCHEMBL4730935

SCHEMBL4730935

O=S(=O)(NC1CCN(S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1)c1ccc(Br)cc1C(F)(F)F

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SFRP1 Q8N474 6/20 0.73
▸ PFKFB3 Q16875 4/20 0.61
▸ AKR1C3 P42330 2/20 0.47
▸ PFKFB4 Q16877 3/20 0.46
▸ AKR1C4 P17516 1/20 0.40
▸ ACLY P53396 2/20 0.39

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
SCHEMBL4733180 0.90 SFRP1 (0.82) SFRP1PFKFB3AKR1C3PFKFB4ACLY
SCHEMBL4615591 0.84 SFRP1 (1.00) SFRP1
SCHEMBL4736075 0.81 SFRP1 (0.71) SFRP1AKR1C3
SCHEMBL4731882 0.79 SFRP1 (0.70) SFRP1
SCHEMBL4731413 0.78 SFRP1 (0.64) SFRP1PFKFB3AKR1C3PFKFB4ACLY
SCHEMBL21857337 0.76 PFKFB3 (1.00) PFKFB3PFKFB4
SCHEMBL4733662 0.76 SFRP1 (0.57) SFRP1
SCHEMBL4736524 0.76 SFRP1 (0.68) SFRP1
SCHEMBL4733578 0.74 SFRP1 (0.60) SFRP1PFKFB3
SCHEMBL16219503 0.74 SFRP1 (0.57) SFRP1PFKFB3AKR1C3PFKFB4ACLY

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