SCHEMBL6514530

SCHEMBL6514530

O=C(NC1=NN(c2ccccc2)C(=O)C1)c1cccc(S(=O)(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.56
MEN1 O00255 8/20 0.56
GAA P10253 7/20 0.53
GRK5 P34947 1/20 0.53
CDK8 P49336 1/20 0.53
L3MBTL1 Q9Y468 4/20 0.52
RECQL P46063 3/20 0.52
POLB P06746 3/20 0.52
BLM P54132 1/20 0.52
MAPT P10636 6/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
NPC1 O15118 1/20 0.45
TSHR P16473 1/20 0.45
THRB P10828 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL124737 0.84 MEN1 (0.72) KMT2AMEN1GAAGRK5CDK8
SCHEMBL7595039 0.75 MEN1 (0.78) KMT2AMEN1GAAGRK5CDK8
SCHEMBL7784153 0.75 SMN1; SMN2 (0.67) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL3259543 0.73 MEN1 (1.00) KMT2AMEN1GAAGRK5CDK8
SCHEMBL11507448 0.72 GAA (0.54) KMT2AMEN1GAAGRK5CDK8
SCHEMBL23718228 0.72 MAPT (0.61) KMT2AMEN1GAAL3MBTL1RECQL
SCHEMBL29658293 0.72 CA1 (0.76) KMT2AMEN1GAAL3MBTL1RECQL
SCHEMBL5386301 0.72 CA1 (0.76) KMT2AMEN1GAAL3MBTL1RECQL
SCHEMBL27789836 0.71 KMT2A (0.60) KMT2AMEN1GAAGRK5CDK8
SCHEMBL10875014 0.70 MEN1 (0.68) KMT2AMEN1GAAGRK5CDK8

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 6 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
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