SCHEMBL9588573

SCHEMBL9588573

CC(CC#N)C(=O)c1ccc2c(c1)ONC(=O)C2

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP2 O95551 1/20 0.30
CRBN Q96SW2 1/20 0.30

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
SCHEMBL7343586 0.83 TDP2 (0.34) TDP2CRBN
SCHEMBL9590401 0.82 EGFR (0.36) GAASMN1; SMN2TDP2CRBN
SCHEMBL7483827 0.81 MEN1 (0.36) GAACRBN
Iodomethane SCHEMBL9590125 0.81 EGFR (0.35) GAASMN1; SMN2
SCHEMBL27357288 0.77 TDP2 (0.30) TDP2CRBN
SCHEMBL7349547 0.76 MAPT (0.49) TDP2CRBN
SCHEMBL7348992 0.75 ATM (0.50) GAASMN1; SMN2TDP2
SCHEMBL7491884 0.74 MMP2 (0.43) SMN1; SMN2TDP2CRBN
SCHEMBL9588570 0.74 MAPT (0.44) GAA
SCHEMBL7341257 0.74 SMYD3 (0.33) TDP2

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 3 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