SCHEMBL9367697

SCHEMBL9367697

NC(=O)Oc1cc(OC(=O)OCc2ccccc2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
HTT P42858 1/20 0.50
GFER P55789 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PARP10 Q53GL7 1/20 0.40
ALDH1A1 P00352 3/20 0.39
PLAU P00749 1/20 0.39
PLAT P00750 1/20 0.39
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
JMJD6 Q6NYC1 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
SCHEMBL8782175 0.92 KMT2A (0.54) KMT2AMEN1HTTGFERHSD17B10
SCHEMBL9845133 0.90 KMT2A (0.52) KMT2AMEN1HTTGFERHSD17B10
SCHEMBL9367677 0.87 KMT2A (0.49) KMT2AMEN1HTTGFERHSD17B10
SCHEMBL29149631 0.87 PLAU (0.50) KMT2AMEN1PARP10ALDH1A1PLAU
SCHEMBL9706059 0.86 MEN1 (0.49) KMT2AMEN1HTTGFERHSD17B10
SCHEMBL9572453 0.79 MEN1 (0.53) KMT2AMEN1ALDH1A1PLAU
Carbamic Acid SCHEMBL9362680 0.78 KMT2A (0.57) KMT2AMEN1HTTGFERHSD17B10
SCHEMBL27668608 0.76 NPC1 (0.44) PLAUPOLBTP53MAPT
SCHEMBL27668609 0.75 POLB (0.39) KMT2AHTTALDH1A1POLBMAPT
SCHEMBL697595 0.74 KMT2A (0.60) KMT2AMEN1HTTGFERHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409119-B1 N,N'-Bis(alkoxy-alkyl)-pyridine-2,4-dicarboxylic acid amides, process for their preparation as well as their use HOECHST AG (DE) 1994-04-13 EP disclosed