SCHEMBL23617870

SCHEMBL23617870

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.52
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
HTT P42858 1/20 0.49
ALDH1A1 P00352 1/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL20322398 0.87 PLAU (0.53) PLAULMNASMN1; SMN2CTSLCTSB
SCHEMBL29065120 0.84 PLAU (0.59) PLAULMNASMN1; SMN2CTSLCTSB
SCHEMBL26734673 0.84 PLAU (0.59) PLAULMNASMN1; SMN2CTSLCTSB
SCHEMBL20322393 0.82 CTSL (0.52) PLAULMNASMN1; SMN2CTSLCTSB
SCHEMBL21128024 0.81 CTSL (0.54) PLAULMNASMN1; SMN2CTSLCTSB
SCHEMBL2820683 0.81 LMNA (0.61) PLAULMNASMN1; SMN2CTSLCTSB
SCHEMBL5485588 0.81 LMNA (0.61) PLAULMNASMN1; SMN2CTSLCTSB
Acetic Acid SCHEMBL8324881 0.80 LMNA (0.56) PLAULMNASMN1; SMN2CTSLCTSB
SCHEMBL21771638 0.78 LMNA (0.62) PLAULMNASMN1; SMN2CTSLCTSB
SCHEMBL1337448 0.78 LMNA (0.58) PLAULMNASMN1; SMN2CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3558988-B1 PYRAZOLO[3,4-B]PYRIDINES AND IMIDAZO[1,5-B]PYRIDAZINES AS PDE1 INHIBITORS H LUNDBECK AS (DK) 2021-07-07 EP disclosed