SCHEMBL7327646

SCHEMBL7327646

CCOC(=O)COc1ccc(C2=NNC(=O)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
LMNA P02545 2/20 0.65
NPY1R P25929 1/20 0.65
NPY2R P49146 1/20 0.65
KMT2A Q03164 1/20 0.58
HRH3 Q9Y5N1 3/20 0.52
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
PTPN1 P18031 1/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GAA P10253 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
PDE3B Q13370 5/20 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
SCHEMBL7336619 0.87 LMNA (0.72) MAPTLMNANPY1RNPY2RKMT2A
SCHEMBL4892521 0.85 MAPT (0.49) MAPTLMNANPY1RNPY2RKMT2A
SCHEMBL9630235 0.85 MAPT (0.67) MAPTLMNANPY1RNPY2RKMT2A
SCHEMBL10968693 0.84 MAPT (0.79) MAPTLMNANPY1RNPY2RKMT2A
SCHEMBL7330323 0.83 MAPT (0.65) MAPTLMNANPY1RNPY2RKMT2A
SCHEMBL4573518 0.83 PDE3B (0.52) MAPTLMNANPY1RNPY2RKMT2A
SCHEMBL5912716 0.82 MAPT (0.64) MAPTLMNANPY1RNPY2RKMT2A
SCHEMBL9834011 0.82 KDM4E (0.48) MAPTLMNANPY1RNPY2RKDM4E
SCHEMBL9461663 0.81 GAA (0.46) MAPTLMNANPY1RNPY2RKDM4E
SCHEMBL10474306 0.80 MAPT (0.65) MAPTLMNANPY1RNPY2RKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63141970-A None JP disclosed
US-5204463-A Substituted methoxyphenyl-4,5 dihydro-3(2H)-pridazinones having cardiotonic and beta blocking activities GLAXO INC. (US) 1993-04-20 US disclosed
US-5096904-A Congestive heart failure GLAXO INC. (US) 1992-03-17 US disclosed
US-5053338-A Hydrolysis of ester to obtain an optically enriched mixture of a phenol enantiomer GLAXO INC. (US) 1991-10-01 US disclosed
EP-0412814-A2 Pyridazinones having cardiotonic and beta blocking activity GLAXO WELLCOME INC. (US) 1991-02-13 EP disclosed
JP-S63141970-A 4,5-DIHYDRO-6-(4-SUBSTITUTED PHENYL)-3(2H)-PYRIDAZINONE DERIVATIVE MORISHITA SEIYAKU KK 1988-06-14 JP disclosed