SCHEMBL27430241

SCHEMBL27430241

O=C=NC(=O)c1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.53
LMNA P02545 2/20 0.53
NAPRT Q6XQN6 1/20 0.53
P4HTM Q9NXG6 1/20 0.53
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 3/20 0.48
GSK3B P49841 1/20 0.47
KDM4E B2RXH2 4/20 0.44
GAA P10253 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 3/20 0.42
MEN1 O00255 1/20 0.42
PSMD14 O00487 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL5824358 0.83 CES2 (0.53) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL2006799 0.79 CES2 (0.64) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL28782253 0.79 CES2 (0.48) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL30976528 0.78 CES2 (0.61) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL3237973 0.78 CES2 (0.61) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL4703400 0.78 CES2 (0.61) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL1279794 0.76 ALDH1A1 (0.61) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL2441765 0.76 CES2 (0.59) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL10349262 0.76 CES2 (0.59) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL3777401 0.74 LMNA (0.61) CES2CES1L3MBTL1LMNANAPRT

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-1114312-A Sulfonamidocarbonylpyridine-2-carboxamides and their pyridine-N-oxides, process for their preparation, and their use as pharmaceuticals HOECHST AG (DE) 1996-01-03 CN claimed
CN-116745285-A [ (1-phenyl-5- (heteroaryl) -1H-1,2, 4-triazol-3-yl) oxy ] acetic acid derivatives as safeners for protecting useful plants and crop plants 拜耳公司 2023-09-12 CN disclosed
CN-114040934-A Polymerizable composition for producing polyisocyanurate-based plastics having extended pot life 科思创知识产权两合公司 2022-02-11 CN disclosed
CN-1114312-A Sulfonamidocarbonylpyridine-2-carboxamides and their pyridine-N-oxides, process for their preparation, and their use as pharmaceuticals HOECHST AG (DE) 1996-01-03 CN disclosed