SCHEMBL29954492

SCHEMBL29954492

Nc1nccnc1B(O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.33
F12 P00748 1/20 0.33
F11 P03951 1/20 0.33
KLKB1 P03952 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
NAPRT Q6XQN6 1/20 0.31
NOS3 P29474 3/20 0.31
NOS2 P35228 3/20 0.31
NUDT1 P36639 1/20 0.31
NOS1 P29475 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ENPP2 Q13822 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
SCHEMBL29957535 0.70
SCHEMBL29985108 0.69
SCHEMBL1024624 0.69
SCHEMBL29517081 0.69 HSP90AA1 (0.38) NAPRTNOS3NOS2NOS1KDM4E
SCHEMBL729391 0.69 HSP90AA1 (0.38) NAPRTNOS3NOS2NOS1KDM4E
SCHEMBL8957172 0.68 NAPRT (0.31) NAPRT
SCHEMBL29951673 0.68
SCHEMBL26227332 0.68
SCHEMBL29951587 0.64 ENPP2 (0.32) ENPP2
SCHEMBL18340930 0.64 NOS2 (0.52) PLGF12F11KLKB1PRSS1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed