SCHEMBL5134780

SCHEMBL5134780

C=CCOC(=O)N(N)CC=C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
CYP3A4 P08684 1/20 0.37
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.33
NPSR1 Q6W5P4 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2070387 0.80 MAPT (0.42) MAPTCACNA1BAPBA1CYP3A4TSHR
SCHEMBL12006510 0.78
SCHEMBL1683063 0.78 ALDH1A1 (0.45) MAPTCACNA1BAPBA1CYP3A4TSHR
SCHEMBL7399794 0.77 MAPT (0.39) MAPTCACNA1BAPBA1CYP3A4TSHR
SCHEMBL18756273 0.77 CHRM2 (0.37) MAPTCACNA1BAPBA1CYP3A4TSHR
SCHEMBL5865605 0.77 CYP3A4 (0.38) MAPTCACNA1BAPBA1CYP3A4TSHR
SCHEMBL17865874 0.77 CYP3A4 (0.38) MAPTCACNA1BAPBA1CYP3A4TSHR
SCHEMBL16215738 0.77
SCHEMBL28273368 0.76 TSHR (0.49) MAPTCACNA1BAPBA1CYP3A4TSHR
Hydrochloric Acid SCHEMBL18725638 0.76 CHRM2 (0.36) MAPTCACNA1BAPBA1CYP3A4TSHR

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
US-20060019936-A1 Methods and compositions for treating cancer MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-01-26 US claimed
US-9289511-B2 Bioconjugated nanoparticles THE BOEING COMPANY (US) 2016-03-22 US disclosed
US-20140207126-A1 BIOCONJUGATED NANOPARTICLES THE BOEING COMPANY (US) 2014-07-24 US disclosed
US-20080317768-A1 BIOCONJUGATED NANOPARTICLES BOEING COMPANY (US) 2008-12-25 US disclosed
WO-2008156460-A1 BIOCONJUGATED NANOPARTICLES THE BOEING COMPANY (US) 2008-12-24 WO disclosed
EP-1773754-A2 METHODS AND COMPOSITIONS FOR TREATING CANCER Massachussets Institute of Technology (US) 2007-04-18 EP disclosed
US-20060019936-A1 Methods and compositions for treating cancer MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-01-26 US disclosed
WO-2005086974-A2 METHODS AND COMPOSITIONS FOR TREATING CANCER MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-09-22 WO disclosed