SCHEMBL29656809

SCHEMBL29656809

CC(C)(C)OC(=O)N1CC=C(c2ccc([N+](=O)[O-])c(N)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.50
PDK4 Q16654 1/20 0.46
NR1H2 P55055 1/20 0.44
GRM1 Q13255 8/20 0.44
GRM5 P41594 7/20 0.44
CYP11B2 P19099 1/20 0.44
CDK7 P50613 1/20 0.43
CDK13 Q14004 1/20 0.43
CDK12 Q9NYV4 1/20 0.43
TNK2 Q07912 1/20 0.43
LIPC P11150 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
BTK Q06187 1/20 0.42
ATR Q13535 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
BRD4 O60885 1/20 0.41
QDPR P09417 1/20 0.41

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
SCHEMBL30778322 1.00 NAMPT (0.50) NAMPTPDK4NR1H2GRM1GRM5
SCHEMBL4564162 0.92 NAMPT (0.50) NAMPTPDK4NR1H2GRM1GRM5
SCHEMBL2946035 0.88 NAMPT (0.51) NAMPTPDK4GRM1GRM5CYP11B2
SCHEMBL29709692 0.88 NAMPT (0.51) NAMPTPDK4GRM1GRM5CYP11B2
SCHEMBL24793986 0.88 NAMPT (0.51) NAMPTPDK4GRM1GRM5CYP11B2
SCHEMBL27168139 0.88 NAMPT (0.50) NAMPTPDK4GRM1GRM5CYP11B2
SCHEMBL29976423 0.88 NAMPT (0.50) NAMPTPDK4GRM1GRM5CYP11B2
SCHEMBL30957987 0.87 QDPR (0.52) NAMPTPDK4GRM1GRM5CYP11B2
SCHEMBL520721 0.87 QDPR (0.52) NAMPTPDK4GRM1GRM5CYP11B2
SCHEMBL31129855 0.86 NAMPT (0.51) NAMPTPDK4GRM1GRM5CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117460732-A Pyrrolopyridone compounds, preparation method and application thereof 杭州中美华东制药有限公司 2024-01-26 CN disclosed
WO-2022258044-A1 PYRROLOPYRIDINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 杭州中美华东制药有限公司 2022-12-15 WO disclosed
CN-109721620-B HPK1 inhibitors and uses thereof 药捷安康(南京)科技股份有限公司 2022-05-13 CN disclosed