SCHEMBL6526017

SCHEMBL6526017

O=[N+]([O-])c1ccc2oc3ccc(S(=O)(=O)O)cc3c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
CA12 O43570 2/20 0.48
CA9 Q16790 2/20 0.48
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
HPGD P15428 1/20 0.47
NT5E P21589 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
GABRP O00591 2/20 0.45
GABRD O14764 2/20 0.45
GABRA1 P14867 2/20 0.45
GABRB1 P18505 2/20 0.45
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
GABRA5 P31644 2/20 0.45

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
SCHEMBL3065729 0.93 MEN1 (0.61) MEN1MAPTKMT2ACA12CA9
SCHEMBL6522524 0.85 L3MBTL1 (0.56) MEN1KMT2ACA12ALDH1A1TDP1
SCHEMBL3077820 0.78 MEN1 (0.57) MEN1MAPTKMT2ACA12CA9
SCHEMBL3085245 0.78 MEN1 (0.61) MEN1MAPTKMT2ACA12CA9
SCHEMBL2340821 0.77 MAPT (0.81) MEN1MAPTKMT2ACA12CA9
SCHEMBL2818655 0.77 SMN1; SMN2 (0.63) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL9189119 0.76 KDM1A (0.61) MEN1MAPTKMT2ACA12CA9
SCHEMBL9239683 0.76 GABRP (0.57) MEN1MAPTKMT2ACA12CA9
Hydrochloric Acid SCHEMBL9145969 0.76 SMN1; SMN2 (0.61) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL12313445 0.76 L3MBTL1 (0.47) MEN1MAPTKMT2AALDH1A1NPC1

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