SCHEMBL2015798

SCHEMBL2015798

NC(=O)c1ccncc1NC(=O)c1ccncc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 1/20 0.63
KDM4C Q9H3R0 1/20 0.63
IRAK4 Q9NWZ3 1/20 0.54
GAA P10253 1/20 0.51
RAB9A P51151 1/20 0.50
KDM4E B2RXH2 2/20 0.49
MPO P05164 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2A6 P11509 1/20 0.49
CYP2C19 P33261 1/20 0.49
SIRT2 Q8IXJ6 1/20 0.48
TP53 P04637 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PDCD1 Q15116 1/20 0.48
CD274 Q9NZQ7 1/20 0.48

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
SCHEMBL22201589 0.87 IRAK4 (0.54) KDM4DKDM4CIRAK4GAARAB9A
SCHEMBL9979195 0.81 KDM4D (0.56) KDM4DKDM4CIRAK4GAACYP1A2
SCHEMBL23463919 0.80 HDAC1 (0.56) KDM4DKDM4CGAARAB9AKDM4E
SCHEMBL18422044 0.80 IRAK4 (0.50) KDM4DKDM4CIRAK4GAAKDM4E
SCHEMBL29601833 0.80 IRAK4 (0.50) KDM4DKDM4CIRAK4GAAKDM4E
SCHEMBL29892972 0.79 KDM4C (0.52) KDM4DKDM4CIRAK4KDM4ECA1
SCHEMBL4934772 0.79 IRAK4 (0.49) KDM4DKDM4CIRAK4KDM4ESIRT2
SCHEMBL259608 0.78 ALDH1A1 (0.61) KDM4DKDM4CRAB9AKMT2ANPSR1
SCHEMBL17711000 0.77 KDM4C (0.51) KDM4DKDM4CIRAK4KDM4EHTT
SCHEMBL18421265 0.77 KDM4C (0.51) KDM4DKDM4CIRAK4KDM4EALDH1A1

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
WO-2011072873-A1 SPECIFIC SORBENT FOR BINDING PROTEINS AND PEPTIDES, AND SEPARATION METHOD USING THE SAME INSTRACTION GMBH (DE) 2011-06-23 WO claimed
WO-2011072873-A1 SPECIFIC SORBENT FOR BINDING PROTEINS AND PEPTIDES, AND SEPARATION METHOD USING THE SAME INSTRACTION GMBH (DE) 2011-06-23 WO disclosed