SCHEMBL6571539

SCHEMBL6571539

NC(=O)NOCCOCCO

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
APP P05067 3/20 0.31
CNR2 P34972 1/20 0.31
TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL6398490 1.00 MEN1 (0.50) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL27902477 0.91 ALDH1A1 (0.35) MEN1KMT2ATSHRALDH1A1
SCHEMBL2052484 0.85
Triethylene Glycol SCHEMBL6398483 0.80 MEN1 (0.69) MEN1KMT2ATSHRMAPK1THRB
Di(Hydroxyethyl)Ether SCHEMBL27988744 0.78 TSHR (0.53) MEN1KMT2ATSHRMAPK1THRB
Tetraethylene Glycol SCHEMBL1013721 0.78 KMT2A (0.65) MEN1KMT2ATSHRMAPK1THRB
Triethylene Glycol SCHEMBL28296600 0.78 KMT2A (0.65) MEN1KMT2ATSHRMAPK1THRB
Tetraethylene Glycol SCHEMBL28813541 0.77 MEN1 (0.50) MEN1KMT2ATSHRMAPK1THRB
Di(Hydroxyethyl)Ether SCHEMBL6571535 0.77 TSHR (0.67) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL6285604 0.76 MEN1 (0.48) MEN1KMT2ATSHRMAPK1THRB

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-1408091-A1 Disazo compound, dye, ink and ink-jet recording method FUJI PHOTO FILM CO., LTD. (JP) 2004-04-14 EP disclosed
US-20030020054-A1 FLAME RETARDANT COMPOSITIONS UTILIZING AMINO CONDENSATION COMPOUNDS BLOUNT DAVID H (US) 2003-01-30 US disclosed
US-6491850-B1 FOR RIGID INSULATING POLYURETHANE FOAM BLOUNT DAVID H (US) 2002-12-10 US disclosed
US-6270694-B1 PRODUCT FROM REACTED UREA, ORGANIC COMPOUND, WATER, CARBONIZATION AUXILIARIES, ALDEHYDE AND FILLER BLOUNT DAVID H (US) 2001-08-07 US disclosed