SCHEMBL2641485

SCHEMBL2641485

CN(C)CCON1C(=O)c2ccc3ccccc3c2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 3/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
GAA P10253 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
HEXA P06865 1/20 0.39
HEXB P07686 1/20 0.39
DNMT1 P26358 1/20 0.38
KAT2B Q92831 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NR1I2 O75469 1/20 0.37
POLB P06746 1/20 0.37
AHR P35869 1/20 0.37
RAD52 P43351 1/20 0.37
RCE1 Q9Y256 1/20 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
SCHEMBL4104400 0.80 GAA (0.62) GAATDP1HEXAHEXBALDH1A1
SCHEMBL31208305 0.80 GAA (0.62) GAATDP1HEXAHEXBALDH1A1
SCHEMBL2641523 0.75 POLB (0.60) HEXAHEXBALDH1A1MAPTMEN1
SCHEMBL65319 0.72 MAPT (0.47) DNMT1ALDH1A1MAPTMEN1RAB9A
SCHEMBL2959931 0.72 DNMT1 (0.41) DNMT1ALDH1A1MAPTMEN1RAB9A
SCHEMBL11875897 0.70 KDM4E (0.41) GAATDP1DNMT1ALDH1A1MAPT
SCHEMBL18485424 0.70 DNMT1 (0.41) DNMT1ALDH1A1MAPTMEN1RAB9A
SCHEMBL8087959 0.69 DNMT1 (0.39) DNMT1ALDH1A1MAPTMEN1RAB9A
SCHEMBL8088820 0.69 DNMT1 (0.39) DNMT1ALDH1A1MAPTMEN1RAB9A
SCHEMBL8088806 0.69 DNMT1 (0.39) GAADNMT1ALDH1A1MAPTMEN1

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
JP-4787451-B2 2011-10-05 JP claimed
EP-1282732-A4 FLUORESCENT MONOMERS AND TAGGED TREATMENT POLYMERS CONTAINING SAME FOR USE IN INDUSTRIAL WATER SYSTEMS ONDEO NALCO CO (US) 2004-12-22 EP claimed
EP-1282732-A1 FLUORESCENT MONOMERS AND TAGGED TREATMENT POLYMERS CONTAINING SAME FOR USE IN INDUSTRIAL WATER SYSTEMS Ondeo Nalco Company (US) 2003-02-12 EP claimed
WO-2001081654-A1 FLUORESCENT MONOMERS AND TAGGED TREATMENT POLYMERS CONTAINING SAME FOR USE IN INDUSTRIAL WATER SYSTEMS ONDEO NALCO COMPANY (US) 2001-11-01 WO claimed
EP-1282732-A4 FLUORESCENT MONOMERS AND TAGGED TREATMENT POLYMERS CONTAINING SAME FOR USE IN INDUSTRIAL WATER SYSTEMS ONDEO NALCO CO (US) 2004-12-22 EP disclosed
EP-1282732-A1 FLUORESCENT MONOMERS AND TAGGED TREATMENT POLYMERS CONTAINING SAME FOR USE IN INDUSTRIAL WATER SYSTEMS Ondeo Nalco Company (US) 2003-02-12 EP disclosed
WO-2001081654-A1 FLUORESCENT MONOMERS AND TAGGED TREATMENT POLYMERS CONTAINING SAME FOR USE IN INDUSTRIAL WATER SYSTEMS ONDEO NALCO COMPANY (US) 2001-11-01 WO disclosed