SCHEMBL20488159

SCHEMBL20488159

NC(=O)c1c[nH]cn1.NC(=O)c1c[nH]nn1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 1/20 0.34
NNMT P40261 1/20 0.33
SIRT6 Q8N6T7 2/20 0.32
TSHR P16473 3/20 0.32
ADORA3 P0DMS8 1/20 0.32
MC4R P32245 1/20 0.32
ADRA1A P35348 1/20 0.32
MC3R P41968 1/20 0.32
LMNA P02545 2/20 0.30
PAX8 Q06710 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MMP9 P14780 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL343264 0.85
SCHEMBL30522334 0.85
SCHEMBL44757 0.85
Arsenic SCHEMBL27936189 0.83
Hydrochloric Acid SCHEMBL1420896 0.83
Hydrochloric Acid SCHEMBL1382983 0.83
Hydrochloric Acid SCHEMBL1049688 0.83 TSHR (0.39) GDANNMTSIRT6TSHRADORA3
4-Imidazolecarboxylic Acid SCHEMBL20488406 0.81 KDM4E (0.32) KDM4EALDH1A1
SCHEMBL20488407 0.79
SCHEMBL20489166 0.76

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-2018158365-A1 MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-09-07 WO disclosed