SCHEMBL7348989

SCHEMBL7348989

CCC(=O)c1ccc2c(c1)OCC(=O)N2

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.63
RXFP1 Q9HBX9 1/20 0.63
ALDH1A1 P00352 6/20 0.59
ATM Q13315 1/20 0.54
PARP1 P09874 1/20 0.50
NSD2 O96028 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MMP12 P39900 1/20 0.47
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 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
SCHEMBL10652999 0.89 MAPT (0.78) MAPTRXFP1ALDH1A1PARP1SMN1; SMN2
SCHEMBL8541100 0.86 ALDH1A1 (0.80) MAPTRXFP1ALDH1A1NSD2SMN1; SMN2
SCHEMBL10538281 0.86 ALDH1A1 (0.59) MAPTRXFP1ALDH1A1NSD2SMN1; SMN2
SCHEMBL7349545 0.84 ALDH1A1 (0.52) MAPTRXFP1ALDH1A1PARP1NSD2
SCHEMBL9594735 0.82 ALDH1A1 (0.55) MAPTRXFP1ALDH1A1NSD2SMN1; SMN2
SCHEMBL941445 0.82 GAA (0.56) MAPTALDH1A1NSD2LMNAPKM
SCHEMBL3283784 0.81 ALDH1A1 (0.56) MAPTALDH1A1NSD2LMNAPKM
SCHEMBL29978611 0.80 ALDH1A1 (0.52) MAPTRXFP1ALDH1A1PARP1NSD2
SCHEMBL303909 0.80 ALDH1A1 (0.52) MAPTRXFP1ALDH1A1PARP1NSD2
SCHEMBL17027017 0.79 MMP12 (0.49) MAPTRXFP1ALDH1A1PARP1NSD2

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 9 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
CN-1071427-A 6-Benzoxazinyl and 6-benzothiazine base-2,3,4,5-tetrahydro pyridazine-3-ketone ORTHO PHARMA CORP (US) 1993-04-28 CN 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-1992011256-A1 PROCESS FOR THE PREPARATION OF BENZOXAZINYLTETRAHYDROPYRIDAZINES ORTHO PHARMACEUTICAL CORPORATION (US) 1992-07-09 WO disclosed
US-5081242-A Cardiotonic and bronchodilator agents; phosphodiesterase inhibitors ORTHO PHARMACEUTICAL CORPORATION (US) 1992-01-14 US disclosed
CN-87108354-A 6-benzoxazinyl and 6-benzothiazinyl-2, 3, 4, 5-tetrahydropyridazin-3-ones 1988-09-21 CN disclosed
US-4766118-A CARDIOTONIC AGENTS, PHOSPHODIESTERASE INHIBITORS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-08-23 US disclosed
EP-0272914-A2 6-Benzoxazinyl- and 6-benzothiazinyl-2,3,4,5-tetrahydropyridazin-3-ones ORTHO PHARMACEUTICAL CORPORATION (US) 1988-06-29 EP disclosed
US-4721784-A MUSCLE RELAXANTS, BRONCHODILATOR AGENTS, CARDIOTONIC AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-01-26 US disclosed