SCHEMBL4064520

SCHEMBL4064520

O=C(O)Cc1nc2ccccc2n1CN(Cn1c(CC(=O)O)nc2ccccc21)Cn1c(CC(=O)O)nc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.55
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 2/20 0.52
HSD17B10 Q99714 1/20 0.49
HDAC6 Q9UBN7 1/20 0.48
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
PIN1 Q13526 1/20 0.45
TBXA2R P21731 1/20 0.44
MEN1 O00255 2/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43

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
SCHEMBL1520801 0.81 KMT2A (0.64) KMT2AKDM4ELMNAPOLBMEN1
SCHEMBL11193929 0.78 HDAC6 (0.53) APEX1KMT2AKDM4ELMNAHSD17B10
SCHEMBL17933571 0.76 HDAC6 (0.72) KMT2AKDM4ELMNAHDAC6POLB
SCHEMBL3588204 0.72 APEX1 (0.75) APEX1KMT2AKDM4ELMNAHSD17B10
SCHEMBL27983763 0.71 APEX1 (0.73) APEX1KMT2AKDM4ELMNAHSD17B10
SCHEMBL10880355 0.71 POLB (0.58) KMT2AKDM4ELMNAHSD17B10POLB
SCHEMBL18955291 0.71 APEX1 (0.73) APEX1KMT2AKDM4EHSD17B10POLB
SCHEMBL31596375 0.71 APEX1 (0.73) APEX1KMT2AKDM4EHSD17B10POLB
Hydrochloric Acid SCHEMBL29205455 0.71 APEX1 (0.76) APEX1KMT2AKDM4ELMNAHSD17B10
Hydrochloric Acid SCHEMBL30881912 0.71 APEX1 (0.76) APEX1KMT2AKDM4ELMNAHSD17B10

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
WO-2009038685-A1 LIGANDS FOR COPPER-CATALYZED AZIDE-ALKYNE CYCLOADDITION REACTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-26 WO disclosed