SCHEMBL6517136

SCHEMBL6517136

CN(C)c1ccc(S(=O)(=O)Cl)cc1[N+](=O)[O-]

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.71
KDM4E B2RXH2 4/20 0.71
HTT P42858 1/20 0.71
HCAR3 P49019 1/20 0.54
VCAM1 P19320 7/20 0.50
KMT2A Q03164 3/20 0.46
POLB P06746 3/20 0.46
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46
MAPT P10636 6/20 0.45
MAPK1 P28482 2/20 0.45
GLA P06280 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.44
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL10060156 0.83 ALDH1A1 (0.71) ALDH1A1KDM4EHTTHCAR3VCAM1
SCHEMBL17845547 0.83 ALDH1A1 (0.51) ALDH1A1KDM4EHTTHCAR3VCAM1
SCHEMBL17845544 0.83 ALDH1A1 (0.51) ALDH1A1KDM4EHTTHCAR3VCAM1
SCHEMBL3813276 0.78 VCAM1 (0.50) ALDH1A1KDM4EHTTVCAM1KMT2A
SCHEMBL274368 0.77 MCOLN3 (0.56) ALDH1A1KDM4EHTTKMT2APOLB
SCHEMBL6816481 0.77 ALDH1A1 (0.58) ALDH1A1KDM4EHTTHCAR3VCAM1
SCHEMBL30610948 0.77 ALDH1A1 (0.58) ALDH1A1KDM4EHTTHCAR3VCAM1
SCHEMBL30430459 0.77 MCOLN3 (0.56) ALDH1A1KDM4EHTTKMT2APOLB
SCHEMBL17863601 0.77 ALDH1A1 (0.45) ALDH1A1KDM4EHTTHCAR3VCAM1
SCHEMBL31122066 0.77 ALDH1A1 (0.45) ALDH1A1KDM4EHTTHCAR3VCAM1

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