SCHEMBL5093812

SCHEMBL5093812

Nc1c(NCCO)ncnc1N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 3/20 0.46
HTT P42858 2/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
JAK3 P52333 2/20 0.40
CYP3A4 P08684 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
GAA P10253 1/20 0.39
PLAU P00749 1/20 0.38
LRRK2 Q5S007 2/20 0.38
MAPT P10636 1/20 0.38
CDC7 O00311 1/20 0.37
ROS1 P08922 1/20 0.37
KIT P10721 1/20 0.37
MARK3 P27448 1/20 0.37
FLT3 P36888 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
SCHEMBL5139485 0.82 SLC29A1 (0.46) SLC29A1HTTKDM4ELMNAALDH1A1
SCHEMBL5025268 0.79 SLC29A1 (0.43) SLC29A1HTTKDM4ELMNAALDH1A1
SCHEMBL5025315 0.76 HUWE1 (0.49) HTTLMNAALDH1A1GAALRRK2
SCHEMBL5099543 0.75 PDE4A (0.52) HTTKDM4ELMNAALDH1A1POLB
SCHEMBL9159049 0.75 HTT (0.61) HTTKDM4ELMNAALDH1A1JAK3
SCHEMBL9690935 0.71 RAB9A (0.61) HTTKDM4ELMNAPOLBCYP3A4
SCHEMBL26200443 0.71 CYP3A4 (0.45) HTTKDM4ELMNACYP3A4ROCK2
SCHEMBL5026982 0.70 ALDH1A1 (0.50) HTTKDM4ELMNAALDH1A1POLB
SCHEMBL5238861 0.69 ADORA3 (0.55) HTTKDM4ELMNAALDH1A1L3MBTL1
SCHEMBL18520451 0.68 CYP3A4 (0.42) HTTKDM4ELMNAPOLBCYP3A4

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
CN-101438288-A Regulation of phosphoryl transferase activity of glutamine synthetase CSIR CORP (ZA) 2009-05-20 CN disclosed
EP-2008210-A1 MODULATION OF PHOSPHORYL TRANSFERASE ACTIVITY OF GLUTAMINE SYNTHETASE CSIR (ZA) 2008-12-31 EP disclosed
WO-2007105023-A1 MODULATION OF PHOSPHORYL TRANSFERASE ACTIVITY OF GLUTAMINE SYNTHETASE CSIR (ZA) 2007-09-20 WO disclosed