SCHEMBL28878261

SCHEMBL28878261

Cc1nc(NO)c2[nH]cnc2n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.47
PDE2A O00408 2/20 0.43
CYP1A2 P05177 3/20 0.41
HIF1A Q16665 1/20 0.41
PIK3CA P42336 4/20 0.40
MTOR P42345 4/20 0.40
PIK3CD O00329 2/20 0.39
PIK3CB P42338 2/20 0.39
PIK3CG P48736 2/20 0.39
GDA Q9Y2T3 2/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
BRAF P15056 1/20 0.38
HTT P42858 1/20 0.38
PDPK1 O15530 1/20 0.38
CDK2 P24941 1/20 0.38

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
SCHEMBL20565 0.84 XDH (0.67) XDHPDE2ACYP1A2HIF1APIK3CA
SCHEMBL30523428 0.84 XDH (0.67) XDHPDE2ACYP1A2HIF1APIK3CA
SCHEMBL16146528 0.80 GDA (0.55) XDHPDE2ACYP1A2HIF1APIK3CA
SCHEMBL29959506 0.80 XDH (0.45) XDHCYP3A4BRAF
SCHEMBL7672747 0.80 XDH (0.45) XDHCYP3A4BRAF
SCHEMBL1029880 0.80 XDH (0.45) XDHCYP1A2HIF1AGDACYP3A4
SCHEMBL16146881 0.79 ADORA3 (0.50) XDHPDE2ACYP1A2PIK3CAMTOR
SCHEMBL6509992 0.79 XDH (0.45) XDHPDE2APIK3CAMTORPIK3CD
SCHEMBL8885460 0.79 XDH (0.45) XDHPDE2ACYP1A2HIF1APIK3CA
SCHEMBL17165346 0.79 PIK3CA (0.44) XDHPDE2APIK3CAMTORGDA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116064598-B Nucleic acid vaccine for coronavirus 苏州艾博生物科技有限公司 2024-03-12 CN disclosed
CN-116615472-A Polymer conjugated lipid compounds and lipid nanoparticle compositions 苏州艾博生物科技有限公司 2023-08-18 CN disclosed
CN-116332830-A Lipid compounds and lipid nanoparticle compositions 苏州艾博生物科技有限公司 2023-06-27 CN disclosed
CN-116064598-A Nucleic acid vaccine for coronavirus 苏州艾博生物科技有限公司 2023-05-05 CN disclosed
CN-110520409-A Compounds and compositions for intracellular delivery of therapeutic agents MODERNATX INC 2019-11-29 CN disclosed