SCHEMBL3544385

SCHEMBL3544385

COc1ccccc1N1Cc2ccc(OS(N)(=O)=O)cc2OC1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.44
CA2 P00918 4/20 0.41
CA9 Q16790 3/20 0.41
STS P08842 8/20 0.39
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.39
CASP1 P29466 1/20 0.39
CA1 P00915 2/20 0.36
CA7 P43166 1/20 0.36
POLB P06746 2/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL3548915 0.92 STS (0.40) MIFCA2CA9STSCA1
SCHEMBL3543484 0.86 STS (0.40) MIFCA2CA9STSCA1
SCHEMBL2784133 0.83 CA2 (0.42) CA2CA9STSKMT2ACA1
SCHEMBL3543201 0.82 MIF (0.50) MIFCA2CA9STSCA1
SCHEMBL2766273 0.82 STS (0.43) MIFCA2CA9STSCA1
SCHEMBL3628429 0.81 CA2 (0.41) MIFCA2CA9ALDH1A1KMT2A
SCHEMBL3548006 0.80 MIF (0.50) MIFCA2CA9STSCA1
SCHEMBL3546808 0.80 CA2 (0.45) MIFCA2CA9STSCA1
SCHEMBL3627755 0.80 MIF (0.67) MIFALDH1A1KMT2AHPGDCASP1
SCHEMBL3545608 0.79 MIF (0.46) MIFCA2CA9STSCA1

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