SCHEMBL2653338

SCHEMBL2653338

O=C(Nc1nn[nH]n1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
LMNA P02545 2/20 0.54
ME2 P23368 1/20 0.54
ME1 P48163 1/20 0.54
ME3 Q16798 1/20 0.54
GPR35 Q9HC97 1/20 0.53
F2 P00734 2/20 0.53
ADORA1 P30542 2/20 0.53
F12 P00748 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
ADORA2A P29274 1/20 0.53
APEX1 P27695 1/20 0.52
HTT P42858 1/20 0.50
HPGD P15428 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
ADCY6 O43306 1/20 0.48

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
SCHEMBL4081943 0.83 XDH (0.55) L3MBTL1LMNAGPR35HTTADCY6
SCHEMBL4085751 0.82 L3MBTL1 (0.61) L3MBTL1LMNAME2ME1ME3
SCHEMBL2659032 0.81 LMNA (0.53) L3MBTL1LMNAME2ME1ME3
SCHEMBL4085756 0.78 L3MBTL1 (0.56) L3MBTL1LMNAME2ME1ME3
SCHEMBL21715531 0.78 ME2 (0.53) L3MBTL1ME2ME1ME3APEX1
SCHEMBL13800053 0.77 LMNA (0.50) LMNAGCGR
SCHEMBL4096741 0.76 ADCY6 (0.62) GPR35KMT2AMEN1ADCY6ADCY3
SCHEMBL10575449 0.76 F2 (0.56) L3MBTL1F2ADORA1F12ADORA3
SCHEMBL2663409 0.75 LMNA (0.48) LMNAGCGR
SCHEMBL3299661 0.75 ADORA1 (0.70) L3MBTL1LMNAF2ADORA1F12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114173772-A Inhibitors of CD40-CD154 binding 托尼克斯医药控股公司 2022-03-11 CN disclosed
CN-1356977-A Glucagon antagonists/inverse agonists NOVO NORDISK AS (DK) 2002-07-03 CN disclosed
EP-1183229-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2002-03-06 EP disclosed
WO-2000069810-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-11-23 WO disclosed