SCHEMBL6519737

SCHEMBL6519737

CSc1nc2c(S(=O)(=O)O)cccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 3/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
DHODH Q02127 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
GFER P55789 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
BRD4 O60885 1/20 0.34
PARP1 P09874 3/20 0.34

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
SCHEMBL3734379 0.82 DHODH (0.45) L3MBTL1GAADHODHPARP1MGAM
SCHEMBL11234305 0.78 PARP1 (0.53) ALDH1A1L3MBTL1KDM4EGAADHODH
SCHEMBL6574358 0.78 L3MBTL1 (0.57) L3MBTL1HPGDKDM4EGAADHODH
SCHEMBL7969798 0.77 DHODH (0.58) ALDH1A1TDP1HPGDKDM4EDHODH
SCHEMBL989259 0.76 L3MBTL1 (0.40) L3MBTL1HPGDKDM4EDHODHPARP1
SCHEMBL39083 0.76 DHODH (0.61) GAADHODHPARP1MGAMSI
SCHEMBL3734375 0.75 RAB9A (0.56) ALDH1A1L3MBTL1HPGDSMN1; SMN2KDM4E
SCHEMBL374823 0.74 ALDH1A1 (0.59) ALDH1A1TDP1ADORA3ADORA2AADORA1
SCHEMBL9394277 0.73 PSMB8 (0.56) ALDH1A1L3MBTL1HPGDKDM4EMAPT
SCHEMBL6842031 0.73 PARP1 (0.66) DHODHPTGS2PARP1

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 8 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
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP 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-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
WO-1999039238-A1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY KERATOFORM, INC. (US) 1999-08-05 WO disclosed