SCHEMBL9779019

SCHEMBL9779019

CC(CO)(CO)NCc1c2ccc3ccccc3c2cc2ccsc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.53
NPBWR1 P48145 1/20 0.35
KMT2A Q03164 1/20 0.35
MCHR1 Q99705 1/20 0.35
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
CYP1A2 P05177 1/20 0.32
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ACHE P22303 1/20 0.32
SLC6A2 P23975 1/20 0.32
AHR P35869 1/20 0.32
CD274 Q9NZQ7 1/20 0.31
HIF1A Q16665 1/20 0.31
CYP1B1 Q16678 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HPGD P15428 1/20 0.30
HPRT1 P00492 2/20 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
SCHEMBL9779130 0.95 SLC2A1 (0.61) SLC2A1NPBWR1KMT2AMCHR1
SCHEMBL9779131 0.87 SLC2A1 (0.51) SLC2A1NPBWR1KMT2AMCHR1
SCHEMBL10348864 0.84 KMT2A (0.41) SLC2A1NPBWR1KMT2AMCHR1ALDH1A1
SCHEMBL9779008 0.84 SLC2A1 (0.45) SLC2A1NPBWR1KMT2AMCHR1ALDH1A1
SCHEMBL9538640 0.81 SLC2A1 (0.58) SLC2A1NPBWR1KMT2AMCHR1ALDH1A1
SCHEMBL9779226 0.79 SLC2A1 (0.53) SLC2A1NPBWR1KMT2AMCHR1
SCHEMBL10484379 0.79 SLC2A1 (0.49) SLC2A1NPBWR1KMT2AMCHR1ALDH1A1
SCHEMBL9537194 0.78 SLC2A1 (0.72) SLC2A1ALDH1A1CYP1A2FYNACHE
SCHEMBL9538875 0.77 SLC2A1 (0.67) SLC2A1
SCHEMBL9524655 0.77 SLC2A1 (0.70) SLC2A1ALDH1A1CYP1A2CD274HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4910218-A With a hydroxy containing secondary amine group BURROUGHS WELLCOME CO. (US) 1990-03-20 US claimed
US-4999369-A Antitumor agents BURROUGHS WELLCOME CO. (US) 1991-03-12 US disclosed
US-4910218-A With a hydroxy containing secondary amine group BURROUGHS WELLCOME CO. (US) 1990-03-20 US disclosed