SCHEMBL28080849

SCHEMBL28080849

NC(=O)Cc1nc(=O)c2[nH]cnc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
GDA Q9Y2T3 2/20 0.40
ACHE P22303 1/20 0.40
ADORA3 P0DMS8 5/20 0.37
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
PTGS1 P23219 1/20 0.37
MAPK3 P27361 1/20 0.37
XDH P47989 1/20 0.37
HBB P68871 1/20 0.37
PAX8 Q06710 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADORA2A P29274 4/20 0.37
PDE4A P27815 4/20 0.37
PDE4B Q07343 4/20 0.37
PDE4C Q08493 4/20 0.37
PDE4D Q08499 4/20 0.37

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
SCHEMBL11133896 0.78 ADORA2A (0.47) ABL1RIN1GDAACHEADORA3
SCHEMBL28252087 0.75 ADORA2A (0.47) ABL1RIN1GDAACHEADORA3
SCHEMBL7680705 0.73 PDE4A (0.49) GDAACHEADORA3XDHADORA2A
Guanine SCHEMBL342789 0.72 ADORA3 (0.62) ABL1RIN1GDAACHEADORA3
SCHEMBL28817761 0.72 ADORA3 (0.49) ADORA3PDE4APDE4BPDE4CPDE4D
SCHEMBL1009012 0.70 ACHE (0.50) ABL1RIN1GDAACHEADORA3
Guanine SCHEMBL28026510 0.69 ADORA3 (0.59) ABL1RIN1GDAACHEADORA3
SCHEMBL8230116 0.68 ACHE (0.48) ABL1RIN1GDAACHEADORA3
Hydrochloric Acid SCHEMBL9666845 0.68 ACHE (0.48) ABL1RIN1GDAACHEADORA3
Water SCHEMBL9462016 0.68 ACHE (0.48) ABL1RIN1GDAACHEADORA3

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
CN-105717745-A Photosensitive polysiloxane composition, protective film and element with protective film 奇美实业股份有限公司 2016-06-29 CN disclosed