SCHEMBL5764686

SCHEMBL5764686

O=C(O)OS(=O)(=O)c1cc2ccccc2c2c1C(=O)NC2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CDK4 P11802 4/20 0.33
CCND1 P24385 4/20 0.33
WDR5 P61964 1/20 0.33
CES1 P23141 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP2D6 P10635 1/20 0.33
GSK3B P49841 4/20 0.33
CDK5 Q00535 3/20 0.33
CDK5R1 Q15078 3/20 0.33
GSK3A P49840 2/20 0.33
ADK P55263 1/20 0.33

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
SCHEMBL11667133 0.81 CES1 (0.39) ALDH1A1MEN1KMT2ACYP1A2CYP2C19
SCHEMBL11877120 0.71 CA1 (0.52) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL27576215 0.70 CA1 (0.50) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL27537477 0.70 CA1 (0.50) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL27645887 0.70 CA1 (0.50) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL27537466 0.70 CA1 (0.50) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL1756365 0.70 TRPM4 (0.48) MEN1KMT2ACDK4CCND1CES1
SCHEMBL28853134 0.69 CA1 (0.49) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL113917 0.69 TSHR (0.44) ALDH1A1KMT2ACYP1A2CYP2C19HSD17B10
SCHEMBL84234 0.68 MAPT (0.33) ALDH1A1MEN1KMT2ACDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1228376-B1 FLUORESCENT COMPOUNDS FOR USE IN INDUSTRIAL WATER SYSTEMS NALCO CHEMICAL CO (US) 2006-05-10 EP disclosed
EP-1228376-A4 FLUORESCENT COMPOUNDS FOR USE IN INDUSTRIAL WATER SYSTEMS NALCO CHEMICAL CO (US) 2003-05-02 EP disclosed
EP-1228376-A1 FLUORESCENT COMPOUNDS FOR USE IN INDUSTRIAL WATER SYSTEMS NALCO CHEMICAL COMPANY (US) 2002-08-07 EP disclosed
US-6358746-B1 SIGNAL EMITTING MARKER FOR USE IN MONITORING WASTE NALCO CHEMICAL COMPANY 2002-03-19 US disclosed
WO-2001035107-A1 FLUORESCENT COMPOUNDS FOR USE IN INDUSTRIAL WATER SYSTEMS NALCO CHEMICAL COMPANY (US) 2001-05-17 WO disclosed