SCHEMBL21128024

SCHEMBL21128024

CN(N)/N=C(\N)CNC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.54
CTSB P07858 1/20 0.54
CTSS P25774 1/20 0.54
CTSK P43235 1/20 0.54
PLAU P00749 1/20 0.50
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
OPRK1 P41145 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
MAPK1 P28482 1/20 0.45
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL20322393 0.87 CTSL (0.52) CTSLCTSBCTSSCTSKPLAU
SCHEMBL29065120 0.82 PLAU (0.59) CTSLCTSBCTSSCTSKPLAU
SCHEMBL26734673 0.82 PLAU (0.59) CTSLCTSBCTSSCTSKPLAU
SCHEMBL23617870 0.81 PLAU (0.52) CTSLCTSBCTSSCTSKPLAU
SCHEMBL20322398 0.80 PLAU (0.53) CTSLCTSBCTSSCTSKPLAU
SCHEMBL2820683 0.78 LMNA (0.61) CTSLCTSBCTSSCTSKPLAU
SCHEMBL5485588 0.78 LMNA (0.61) CTSLCTSBCTSSCTSKPLAU
SCHEMBL1722707 0.78 CTSL (0.59) CTSLCTSBCTSSCTSKPLAU
SCHEMBL8913074 0.77 CTSL (0.69) CTSLCTSBCTSSCTSKLMNA
Acetic Acid SCHEMBL8324881 0.77 LMNA (0.56) CTSLCTSBCTSSCTSKPLAU

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
EP-3723808-B1 COMBINATION TREATMENTS COMPRISING ADMINISTRATION OF 1H-PYRAZOLO[4,3-B]PYRIDINES H LUNDBECK AS (DK) 2021-10-20 EP disclosed
EP-3723807-B1 COMBINATION TREATMENTS COMPRISING ADMINISTRATION OF 1H-PYRAZOLO[4,3-B]PYRIDINES H LUNDBECK AS (DK) 2021-10-20 EP disclosed
EP-3689874-A1 1H-PYRAZOLO[4,3-B]PYRIDINES AS PDE1 INHIBITORS H. Lundbeck A/S (DK) 2020-08-05 EP disclosed
WO-2019115566-A1 COMBINATION TREATMENTS COMPRISING ADMINISTRATION OF 1H-PYRAZOLO[4,3-B]PYRIDINES H. LUNDBECK A/S (DK) 2019-06-20 WO disclosed