SCHEMBL7419902

SCHEMBL7419902

COC(=O)CC(C)C(=O)c1ccc2c(c1)OCC(=O)N2

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
THRB P10828 2/20 0.43
POLB P06746 1/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
NSD2 O96028 1/20 0.42
MAPK1 P28482 1/20 0.42
PARP1 P09874 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
RXFP1 Q9HBX9 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
SCHEMBL7351215 0.91 ALDH1A1 (0.55) ALDH1A1MAPTPOLBMAPK1PARP1
SCHEMBL7343583 0.87 ALDH1A1 (0.46) ALDH1A1MAPTPRMT5WDR77NSD2
SCHEMBL9590395 0.81 MAPT (0.48) ALDH1A1MAPTTHRBPRMT5WDR77
SCHEMBL9588570 0.81 MAPT (0.44) ALDH1A1MAPTPRMT5WDR77NSD2
SCHEMBL5467117 0.80 ALDH1A1 (0.48) ALDH1A1MAPTPRMT5WDR77NSD2
SCHEMBL29978611 0.79 ALDH1A1 (0.52) ALDH1A1MAPTPOLBNSD2PARP1
SCHEMBL303909 0.79 ALDH1A1 (0.52) ALDH1A1MAPTPOLBNSD2PARP1
SCHEMBL25720031 0.78 GAA (0.52) ALDH1A1MAPTPOLBPRMT5WDR77
SCHEMBL7341856 0.78 ALDH1A1 (0.44) ALDH1A1MAPTPRMT5WDR77NSD2
SCHEMBL7341253 0.78 ALDH1A1 (0.58) ALDH1A1MAPTPOLBMAPK1PARP1

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
US-5221742-A PROCESS FOR THE PREPARATION OF 6-(3,4-DIHYDRO-3-OXO-1,4(2H)-BENZOXAZIN-7-YL)-2,3,4,5-TETRAHYDROPYRIDAZIN-3-ONES ORTHO PHARMACEUTICAL CORPORATION (US) 1993-06-22 US disclosed
EP-0515668-A4 OXO-TETRAHYDROPYRIDAZINYL-PYRAZOLO 4,3-B)-1,4-BENZOXAZINES 1993-03-10 EP disclosed
EP-0515668-A1 OXO-TETRAHYDROPYRIDAZINYL-PYRAZOLO 4,3-b]-1,4-BENZOXAZINES ORTHO PHARMACEUTICAL CORPORATION (US) 1992-12-02 EP disclosed
EP-0509845-A1 (+) and (-) enantiomers of 5-aliphatic-6-(benzoxazinyl- or benzothiazinyl)-2,3,4,5-tetrahydropyridazin-3-ones ORTHO PHARMACEUTICAL CORPORATION (US) 1992-10-21 EP disclosed
WO-1992011265-A1 OXO-TETRAHYDROPYRIDAZINYL-PYRAZOLO[4,3-b]-1,4-BENZOXAZINES ORTHO PHARMACEUTICAL CORPORATION (US) 1992-07-09 WO disclosed
US-5116837-A 2,9-dihydro-(6 or 7)-(3-oxo-2,3,4,5-tetrahydropyridazinyl)-pyrazolo [4,3-B]-1,4-benzoxazines ORTHO PHARMACEUTICAL CORPORATION (US) 1992-05-26 US disclosed