SCHEMBL456951

SCHEMBL456951

O=C(O)c1cnc(Cc2ccccc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.46
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
MGAM O43451 1/20 0.44
PLA2G10 O15496 1/20 0.44
PLA2G2A P14555 1/20 0.44
LMNA P02545 1/20 0.44
P4HA1 P13674 2/20 0.44
P4HTM Q9NXG6 2/20 0.44
VNN1 O95497 1/20 0.44
TSHR P16473 2/20 0.43
SRD5A2 P31213 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DAO P14920 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL15737161 0.84 NR4A2 (0.49) NR4A2LMNAP4HA1P4HTMVNN1
SCHEMBL5082943 0.83 DAO (0.47) LDHANR4A1NR4A2NR4A3MGAM
SCHEMBL3226195 0.82 NR4A2 (0.54) NR4A2KDM5AKDM4CKDM5B
SCHEMBL17663927 0.78 LDHA (0.51) LDHANR4A1NR4A2NR4A3PLA2G10
SCHEMBL27794864 0.78 VNN1 (0.50) LDHAP4HTMVNN1MEN1KMT2A
SCHEMBL13555496 0.77 MRGPRX4 (0.55) LDHANR4A2PLA2G2AKDM4C
SCHEMBL28995748 0.76 FOLH1 (0.51) NR4A2
Ammonia Solution, Strong SCHEMBL28313730 0.75 SRD5A2 (0.69) NR4A1NR4A2NR4A3PLA2G10PLA2G2A
Ammonia Solution, Strong SCHEMBL27509627 0.74 CALM1 (0.52) LMNATSHRMEN1KMT2A
SCHEMBL32682868 0.74 NR4A2 (0.59) NR4A1NR4A2NR4A3P4HTMSRD5A2

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-2011031658-A1 HERBICIDAL PYRIMIDONE DERIVATIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-03-17 WO disclosed