SCHEMBL2649291

SCHEMBL2649291

CCOC(=O)C1C=NC(C)=C(c2cccc([N+](=O)[O-])c2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
ALDH1A1 P00352 4/20 0.48
MAPK1 P28482 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 1/20 0.47
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
PDE4B Q07343 2/20 0.45
PDE4D Q08499 2/20 0.45
PDE4A P27815 1/20 0.45
PDE4C Q08493 1/20 0.45
CACNA1F O60840 4/20 0.44
CACNA1D Q01668 4/20 0.44
CACNA1S Q13698 4/20 0.44
CACNA1C Q13936 4/20 0.44
ADORA3 P0DMS8 1/20 0.44
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL2649285 0.87 RAB9A (0.48) MAPTALDH1A1RAB9AADORA3LMNA
SCHEMBL2649211 0.81 RAB9A (0.43) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL2649623 0.80 CNR2 (0.43) CYP1A2POLB
SCHEMBL2649546 0.75 HTT (0.44) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL2649991 0.75 LMNA (0.46) MAPTALDH1A1MEN1KMT2ACACNA1D
SCHEMBL2648348 0.74 ALDH1A1 (0.47) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL6974946 0.72 MAPT (0.40) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL2651383 0.72 KDM4E (0.39) MAPTALDH1A1MAPK1KMT2ALMNA
SCHEMBL2649878 0.71 ALDH1A1 (0.45) MAPTALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL2649630 0.70 TDP1 (0.42) MAPTALDH1A1MAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1064283-A1 PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2001-01-03 EP disclosed
WO-1999048892-A1 PYRAZOLO-PYRIDINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 1999-09-30 WO disclosed