SCHEMBL9588570

SCHEMBL9588570

CC(CC#N)C(=O)c1ccc2c(c1)OCC(=O)N2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
NSD2 O96028 1/20 0.43
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
NR3C2 P08235 1/20 0.41
MAPK1 P28482 1/20 0.41
PKM P14618 1/20 0.40
GAA P10253 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PARP1 P09874 1/20 0.40
LMNA P02545 1/20 0.39
MMP12 P39900 1/20 0.39
USP30 Q70CQ3 1/20 0.39

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
SCHEMBL7343583 0.83 ALDH1A1 (0.46) MAPTALDH1A1NSD2PRMT5WDR77
SCHEMBL9590395 0.82 MAPT (0.48) MAPTALDH1A1NSD2PRMT5WDR77
SCHEMBL5467117 0.81 ALDH1A1 (0.48) MAPTALDH1A1NSD2PRMT5WDR77
SCHEMBL7419902 0.81 ALDH1A1 (0.44) MAPTALDH1A1NSD2PRMT5WDR77
SCHEMBL9729877 0.78 MAOB (0.47) MAPTALDH1A1PKMLMNA
SCHEMBL7341856 0.77 ALDH1A1 (0.44) MAPTALDH1A1NSD2PRMT5WDR77
SCHEMBL7349545 0.76 ALDH1A1 (0.52) MAPTALDH1A1NSD2PKMGAA
SCHEMBL7348989 0.75 MAPT (0.63) MAPTALDH1A1NSD2MAPK1PKM
SCHEMBL9588573 0.74 GAA (0.31) GAA
SCHEMBL7491877 0.74 ALDH1A1 (0.45) MAPTALDH1A1NSD2PRMT5WDR77

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
US-5081242-A Cardiotonic and bronchodilator agents; phosphodiesterase inhibitors ORTHO PHARMACEUTICAL CORPORATION (US) 1992-01-14 US claimed
EP-0272914-A2 6-Benzoxazinyl- and 6-benzothiazinyl-2,3,4,5-tetrahydropyridazin-3-ones ORTHO PHARMACEUTICAL CORPORATION (US) 1988-06-29 EP claimed
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
WO-1992011256-A1 PROCESS FOR THE PREPARATION OF BENZOXAZINYLTETRAHYDROPYRIDAZINES ORTHO PHARMACEUTICAL CORPORATION (US) 1992-07-09 WO disclosed