SCHEMBL13673252

SCHEMBL13673252

COCC1COc2ccccc2N1S(=O)(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 6/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.41
AR P10275 2/20 0.39
PKM P14618 1/20 0.38
RORC P51449 2/20 0.37
PTGDR2 Q9Y5Y4 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
SCHEMBL10246135 0.88 NPC1 (0.41) NPC1NPSR1GAAL3MBTL1LMNA
SCHEMBL3442720 0.88 NPC1 (0.46) NPC1NPSR1GAAL3MBTL1LMNA
SCHEMBL3442722 0.86 NPC1 (0.41) NPC1NPSR1GAAL3MBTL1LMNA
SCHEMBL10246492 0.86 KMT2A (0.45) NPC1NPSR1GAAL3MBTL1LMNA
SCHEMBL700177 0.85 NPC1 (0.43) NPC1NPSR1GAAL3MBTL1LMNA
SCHEMBL10246158 0.84 NPC1 (0.44) NPC1NPSR1GAAL3MBTL1LMNA
SCHEMBL13695348 0.74 NPC1 (0.53) NPC1NPSR1GAAL3MBTL1LMNA
SCHEMBL10246209 0.68 NPC1 (0.48) NPC1NPSR1GAAL3MBTL1LMNA
SCHEMBL5461127 0.66 NPC1 (0.46) NPC1NPSR1GAAL3MBTL1LMNA
SCHEMBL10246235 0.66 LMNA (0.40) NPC1NPSR1GAAL3MBTL1LMNA

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-2009124733-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-10-15 WO disclosed