SCHEMBL6432869

SCHEMBL6432869

O=S(=O)(O)c1c(S(=O)(=O)O)c2ccc3cccc4cc(O)c(c1S(=O)(=O)O)c2c34.[Na]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
MAPK1 P28482 4/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 3/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP2C9 P11712 2/20 0.39
PTPRA P18433 1/20 0.39
PTPRB P23467 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
RAPGEF4 Q8WZA2 1/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
DUSP5 Q16690 1/20 0.38
MEN1 O00255 2/20 0.37
CDK2 P24941 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37

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
SCHEMBL219666 0.98 MAPK1 (0.38) TSHRMAPK1ALDH1A1CYP1A2HSD17B10
SCHEMBL10842981 0.97 MAPK1 (0.37) TSHRMAPK1ALDH1A1CYP1A2HSD17B10
SCHEMBL17205095 0.97 MAPK1 (0.37) TSHRMAPK1ALDH1A1CYP1A2HSD17B10
SCHEMBL13736402 0.88 MAPK1 (0.41) TSHRMAPK1ALDH1A1CYP1A2HSD17B10
SCHEMBL4309579 0.85 ALDH1A1 (0.42) TSHRMAPK1ALDH1A1CYP1A2HSD17B10
SCHEMBL2455936 0.85 ALDH1A1 (0.42) TSHRMAPK1ALDH1A1CYP1A2HSD17B10
SCHEMBL222715 0.84 CYP1A2 (0.44) TSHRMAPK1ALDH1A1CYP1A2HSD17B10
SCHEMBL31030170 0.84 CYP1A2 (0.41) TSHRMAPK1ALDH1A1CYP1A2HSD17B10
SCHEMBL304340 0.84 CYP1A2 (0.41) TSHRMAPK1ALDH1A1CYP1A2HSD17B10
SCHEMBL34463528 0.84 CYP1A2 (0.41) TSHRMAPK1ALDH1A1CYP1A2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1005645-B1 OPTICAL CARBON DIOXIDE SENSOR NOVARTIS AG (CH) 2005-04-27 EP disclosed
US-6338822-B1 POLYMER AS A BASE SUBSTANCE, AN ANIONIC FLUORESCENCE DYE, LIGHT-SENSITIVE LAYER ALSO CONTAINS A QUATERNARY ONIUM PHENOLATE. NOVARTIS AG (CH) 2002-01-15 US disclosed
EP-1005645-A1 OPTICAL CARBON DIOXIDE SENSORS Novartis AG (CH) 2000-06-07 EP disclosed
WO-1999009406-A1 OPTICAL CARBON DIOXIDE SENSORS NOVARTIS AG (CH) 1999-02-25 WO disclosed