SCHEMBL6517599

SCHEMBL6517599

O=S(=O)(O)c1ccc(-c2nc3ccccc3[nH]2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.69
NPC1 O15118 7/20 0.62
RAB9A P51151 7/20 0.62
GAA P10253 1/20 0.62
KDM4E B2RXH2 7/20 0.60
ALDH1A1 P00352 6/20 0.60
HPGD P15428 3/20 0.60
KMT2A Q03164 2/20 0.60
MMP2 P08253 2/20 0.60
MMP9 P14780 2/20 0.60
MMP8 P22894 2/20 0.60
SMN1; SMN2 Q16637 5/20 0.59
TP53 P04637 2/20 0.59
HSD17B10 Q99714 2/20 0.59
POLB P06746 1/20 0.59
MAPT P10636 1/20 0.59
GFER P55789 1/20 0.59
HPSE Q9Y251 2/20 0.58
MEN1 O00255 1/20 0.57
PKN1 Q16512 1/20 0.57

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
SCHEMBL5178280 0.91 HDAC6 (0.84) HDAC6NPC1RAB9AGAAKDM4E
Sulfuric Acid SCHEMBL2295930 0.85 NPC1 (0.79) HDAC6NPC1RAB9AGAAKDM4E
SCHEMBL30424949 0.84 NPC1 (0.71) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL16756458 0.84 NPC1 (0.71) NPC1RAB9AGAAKDM4EALDH1A1
SCHEMBL3738884 0.83 HDAC6 (0.63) HDAC6NPC1RAB9AGAAKDM4E
SCHEMBL4360279 0.83 HDAC6 (0.76) HDAC6NPC1RAB9AGAAKDM4E
SCHEMBL2178266 0.83 NPC1 (0.88) HDAC6NPC1RAB9AGAAKDM4E
SCHEMBL29386825 0.83 NPC1 (0.88) HDAC6NPC1RAB9AGAAKDM4E
SCHEMBL318730 0.83 HDAC6 (0.67) HDAC6SCDNPBWR1
SCHEMBL490323 0.83 HDAC6 (0.86) HDAC6SCDNPBWR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051655-B1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY ISTA PHARMACEUTICALS INC (US) 2005-09-28 EP disclosed
EP-1051655-A4 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY ISTA PHARMACEUTICALS INC (US) 2003-03-19 EP disclosed
US-20010016731-A1 Methods and apparatus for accelerated orthokeratology DEVORE DALE (US) 2001-08-23 US disclosed
CN-1295677-A Method and apparatus for accelerated orthokeratology EASTA PHARMACEUTICALS INC (US) 2001-05-16 CN disclosed
US-6161544-A Methods for accelerated orthokeratology KERATOFORM, INC. (US) 2000-12-19 US disclosed
EP-1051655-A1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY Ista Pharmaceuticals, Inc. (US) 2000-11-15 EP disclosed
WO-1999039238-A1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY KERATOFORM, INC. (US) 1999-08-05 WO disclosed