SCHEMBL4782093

SCHEMBL4782093

O=S(=O)(NCC1CCOCC1)c1cn(S(=O)(=O)c2ccccc2)c2cccc(Cl)c12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 2/20 0.47
PKM P14618 1/20 0.47
GBA1 P04062 1/20 0.43
HTR6 P50406 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
IL1B P01584 2/20 0.40
P2RX7 Q99572 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR2 P34972 3/20 0.39
CNR1 P21554 1/20 0.39
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
AQP1 P29972 1/20 0.37

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
SCHEMBL4783496 0.88 NPC1 (0.46) NPC1ALDH1A1PKMGBA1HTR6
SCHEMBL4782615 0.87 NPC1 (0.46) NPC1ALDH1A1PKMGBA1HTR6
SCHEMBL4783430 0.86 CNR2 (0.48) NPC1ALDH1A1PKMGBA1HTR6
SCHEMBL4782077 0.86 NPC1 (0.44) NPC1ALDH1A1PKMGBA1HTR6
SCHEMBL4782935 0.85 ALDH1A1 (0.43) ALDH1A1HTR6
SCHEMBL4780971 0.79 BRD4 (0.45) NPC1HTR6
SCHEMBL4783073 0.77 HTR6 (0.45) HTR6SMN1; SMN2MEN1KMT2A
SCHEMBL4783889 0.77 BRD4 (0.43) NPC1HTR6
SCHEMBL4782487 0.75 HTR6 (0.48) HTR6
SCHEMBL14208209 0.75 HTR6 (0.54) ALDH1A1HTR6

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