SCHEMBL2871990

SCHEMBL2871990

NCCCNC(=O)c1cc(C(=O)O)ccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
FTO Q9C0B1 7/20 0.54
ALKBH5 Q6P6C2 5/20 0.54
KDM4D Q6B0I6 2/20 0.54
KDM5A P29375 2/20 0.54
KDM5C P41229 2/20 0.54
KDM5B Q9UGL1 2/20 0.54
KDM6B O15054 1/20 0.54
TET3 O43151 1/20 0.54
KDM4A O75164 1/20 0.54
BBOX1 O75936 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
ASPH Q12797 1/20 0.54
TET2 Q6N021 1/20 0.54
KDM7A Q6ZMT4 1/20 0.54
KDM8 Q8N371 1/20 0.54
TET1 Q8NFU7 1/20 0.54
EGLN2 Q96KS0 1/20 0.54
EGLN1 Q9GZT9 1/20 0.54

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
SCHEMBL2877411 0.91 KDM4E (0.72) KDM4EFTOALKBH5KDM4DKDM5A
SCHEMBL13383595 0.84 KDM4E (0.84) KDM4EKDM4DKDM5AKDM5CKDM5B
SCHEMBL12999520 0.82 ITGB3 (0.61) KDM4EFTOALKBH5KDM4DKDM5A
SCHEMBL2786137 0.79 KDM4E (0.72) KDM4EFTOALKBH5KDM4DKDM5A
SCHEMBL2714869 0.79 FTO (0.61) KDM4EFTOALKBH5KDM4DKDM5A
SCHEMBL29831092 0.79 FTO (0.61) KDM4EFTOALKBH5KDM4DKDM5A
SCHEMBL2871803 0.78 FTO (0.46) KDM4EFTOALKBH5KDM4DKDM5A
SCHEMBL9561544 0.78 POLB (0.51) KDM4EALDH1A1MAPTITGB3ITGA2B
SCHEMBL15286469 0.77 KDM4D (0.76) KDM4EFTOALKBH5KDM4DKDM5A
SCHEMBL14904965 0.76 KMT2A (0.50) KDM4CSMN1; SMN2KMT2A

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-2010043866-A2 HISTONE LYSINE DEMETHYLASE INHIBITORS ISIS INNOVATION LIMITED (GB) 2010-04-22 WO disclosed
WO-2010043866-A2 HISTONE LYSINE DEMETHYLASE INHIBITORS ISIS INNOVATION LIMITED (GB) 2010-04-22 WO disclosed