SCHEMBL796861

SCHEMBL796861

Nc1ccnc(C(=O)O)c1.[Tb]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.59
ALDH1A1 P00352 5/20 0.59
MAPT P10636 4/20 0.59
KDM3A Q9Y4C1 3/20 0.59
KDM5A P29375 2/20 0.59
KDM4C Q9H3R0 2/20 0.59
KDM6B O15054 2/20 0.59
KDM4A O75164 2/20 0.59
KDM5C P41229 2/20 0.59
KDM5B Q9UGL1 2/20 0.59
KDM2A Q9Y2K7 2/20 0.59
TET3 O43151 1/20 0.59
BBOX1 O75936 1/20 0.59
ASPH Q12797 1/20 0.59
KDM4D Q6B0I6 1/20 0.59
TET2 Q6N021 1/20 0.59
ALKBH5 Q6P6C2 1/20 0.59
KDM7A Q6ZMT4 1/20 0.59
KDM8 Q8N371 1/20 0.59
TET1 Q8NFU7 1/20 0.59

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
SCHEMBL40990 0.98 KDM4E (0.61) KDM4EALDH1A1MAPTKDM3AKDM5A
SCHEMBL29452923 0.98 KDM4E (0.61) KDM4EALDH1A1MAPTKDM3AKDM5A
SCHEMBL2643816 0.81 ADORA3 (0.47) KDM4EALDH1A1MAPTKDM3AKDM5A
SCHEMBL2643345 0.79 ALDH1A1 (0.50) KDM4EALDH1A1MAPTKDM3AKDM5A
SCHEMBL30800092 0.78 KMO (0.71) KDM4EALDH1A1MAPTKDM3AKDM5A
SCHEMBL7513922 0.78 KMO (0.71) KDM4EALDH1A1MAPTKDM3AKDM5A
SCHEMBL14897896 0.76 KDM4D (0.50) KDM4EALDH1A1MAPTKDM3AKDM5A
SCHEMBL9477033 0.76 ALDH1A1 (0.37) KDM4EALDH1A1MAPTKDM3AKDM5A
SCHEMBL31345733 0.76 P2RX7 (0.50) KDM4EALDH1A1MAPTKDM3AKDM5A
SCHEMBL27212647 0.76 P2RX7 (0.50) KDM4EALDH1A1MAPTKDM3AKDM5A

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-2615938-A1 TAMPERPROOF CASE SICPA HOLDING SA (CH) 2013-07-24 EP disclosed
WO-2012035145-A1 TAMPERPROOF CASE SICPA HOLDING SA (CH) 2012-03-22 WO disclosed