SCHEMBL8600295

SCHEMBL8600295

NN=C(N)NN=Cc1ccc(O)c(O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.63
POLB P06746 5/20 0.63
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
ALPL P05186 3/20 0.63
ALPI P09923 3/20 0.63
ALPG P10696 3/20 0.63
BLM P54132 2/20 0.63
NOX4 Q9NPH5 1/20 0.63
ATM Q13315 1/20 0.63
TAAR1 Q96RJ0 1/20 0.63
SAE1 Q9UBE0 1/20 0.63
UBA2 Q9UBT2 1/20 0.63
GFER P55789 3/20 0.57
NTRK1 P04629 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
DNM1 Q05193 2/20 0.49
ECE2 P0DPD6 1/20 0.49
ECE1 P42892 1/20 0.49
MUS81 Q96NY9 1/20 0.49

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
SCHEMBL24211894 0.85 GAA (0.61) GAAPOLBMEN1KMT2AALPL
SCHEMBL6683150 0.81 GAA (0.75) GAAPOLBMEN1KMT2AALPL
SCHEMBL12858839 0.81 KDM4E (0.70) GAAPOLBMEN1KMT2AALPL
SCHEMBL17044490 0.81 POLB (0.65) GAAPOLBMEN1KMT2AALPL
SCHEMBL17044488 0.81 POLB (0.65) GAAPOLBMEN1KMT2AALPL
Hydrochloric Acid SCHEMBL5703116 0.80 GAA (0.63) GAAPOLBMEN1KMT2AALPL
Hydrochloric Acid SCHEMBL5703113 0.80 GAA (0.63) GAAPOLBMEN1KMT2AALPL
SCHEMBL6573502 0.79 GFER (0.64) GAAPOLBMEN1KMT2AGFER
Hydrochloric Acid SCHEMBL7266206 0.78 GFER (0.62) GAAPOLBMEN1KMT2AGFER
SCHEMBL16224320 0.77 GAA (0.69) GAAPOLBMEN1KMT2AALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0824535-A1 ANTIBACTERIAL CEPHALOSPORINS BIOCHEMIE GESELLSCHAFT M.B.H. (AT) 1998-02-25 EP disclosed
WO-1996035692-A1 ANTIBACTERIAL CEPHALOSPORINS BIOCHEMIE GESELLSCHAFT MBH (AT) 1996-11-14 WO disclosed