SCHEMBL4783430

SCHEMBL4783430

O=S(=O)(NCC1CCOCC1)c1cn(S(=O)(=O)c2ccccc2)c2cccc(C(F)(F)F)c12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.48
NPC1 O15118 1/20 0.44
CNR1 P21554 3/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
NPY1R P25929 2/20 0.42
NPY5R Q15761 2/20 0.42
GBA1 P04062 1/20 0.40
HTR6 P50406 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
SCHEMBL4782093 0.86 NPC1 (0.48) CNR2NPC1CNR1ALDH1A1PKM
SCHEMBL4783496 0.86 NPC1 (0.46) CNR2NPC1ALDH1A1PKMGBA1
SCHEMBL4781473 0.86 SFRP1 (0.46) HTR6
SCHEMBL4782615 0.85 NPC1 (0.46) CNR2NPC1ALDH1A1PKMGBA1
SCHEMBL4782077 0.83 NPC1 (0.44) NPC1ALDH1A1PKMGBA1HTR6
SCHEMBL4780971 0.79 BRD4 (0.45) NPC1HTR6
SCHEMBL4783275 0.78 SMN1; SMN2 (0.49) CNR2NPY5RHTR6
SCHEMBL4782672 0.78 ALDH1A1 (0.37) ALDH1A1PKMHTR6
SCHEMBL4781949 0.78 SFRP1 (0.38) HTR6
SCHEMBL4780921 0.78 SFRP1 (0.48) HTR6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008060998-A1 INDOLE SULFONAMIDES AS SFRP-1 MODULATORS WYETH (US) 2008-05-22 WO disclosed