SCHEMBL3628429

SCHEMBL3628429

COc1ccc2c(c1)OC(=O)N(c1ccccc1S(N)(=O)=O)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.41
CA1 P00915 3/20 0.41
CA9 Q16790 3/20 0.41
CA12 O43570 2/20 0.41
MIF P14174 1/20 0.41
P2RX3 P56373 1/20 0.39
TSHR P16473 3/20 0.37
KMT2A Q03164 2/20 0.37
RIPK1 Q13546 1/20 0.36
ALDH1A1 P00352 3/20 0.36
RAB9A P51151 3/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36

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
SCHEMBL3618891 0.84 MIF (0.49) MIFKMT2ARIPK1ALDH1A1RAB9A
SCHEMBL3626304 0.83 MIF (0.48) CA2CA1CA9CA12MIF
SCHEMBL3544385 0.81 MIF (0.44) CA2CA1CA9MIFKMT2A
SCHEMBL2765545 0.78 MIF (0.53) MIFALDH1A1RAB9AHPGDNPC1
SCHEMBL3548006 0.77 MIF (0.50) CA2CA1CA9CA12MIF
SCHEMBL3548915 0.76 STS (0.40) CA2CA1CA9MIFCA7
SCHEMBL3543484 0.76 STS (0.40) CA2CA1CA9MIFCA7
SCHEMBL3543201 0.75 MIF (0.50) CA2CA1CA9CA12MIF
SCHEMBL2784133 0.74 CA2 (0.42) CA2CA1CA9CA12KMT2A
SCHEMBL2766273 0.72 STS (0.43) CA2CA1CA9MIFCA7

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-7795251-B2 3,4-dihydro-benzo[e][1,3]oxazin-2-ones NOVARTIS AG (CH) 2010-09-14 US disclosed
EP-1874742-A1 3,4-DIHYDRO-BENZO[E][1,3]OXAZIN-2-ONES Novartis AG (CH) 2008-01-09 EP disclosed
WO-2006108671-A1 3,4-DIHYDRO-BENZO[E][1,3]OXAZIN-2-ONES NOVARTIS AG (CH) 2006-10-19 WO disclosed