SCHEMBL6594113

SCHEMBL6594113

COC(=O)[C@H](Cc1c[nH]c2ccccc12)Nc1nc2cccc(C)c2c(=O)o1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 14/20 0.64
TDP1 Q9NUW8 1/20 0.54
CTRB1 P17538 3/20 0.49
MAPT P10636 1/20 0.48
MEN1 O00255 1/20 0.48
HCRTR1 O43613 1/20 0.48
KMT2A Q03164 1/20 0.48
TYMS P04818 1/20 0.48
ITGB2 P05107 1/20 0.47
ICAM1 P05362 1/20 0.47
ITGAL P20701 1/20 0.47

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
SCHEMBL27490972 1.00 ELANE (0.64) ELANETDP1CTRB1MAPTMEN1
SCHEMBL6593941 0.92 ELANE (0.53) ELANETDP1CTRB1MAPTITGB2
SCHEMBL27477556 0.92 ELANE (0.53) ELANETDP1CTRB1MAPTITGB2
SCHEMBL6499165 0.91 ITGB2 (0.56) ELANECTRB1MAPTMEN1KMT2A
SCHEMBL6595086 0.82 ELANE (0.74) ELANECTRB1
SCHEMBL27477143 0.82 ELANE (0.74) ELANECTRB1
SCHEMBL10362846 0.78 ELANE (1.00) ELANECTRB1
SCHEMBL27478831 0.78 ELANE (1.00) ELANECTRB1
SCHEMBL6597882 0.78 ELANE (0.70) ELANECTRB1
SCHEMBL8545277 0.78 MAPT (0.59) MAPTMEN1KMT2AITGB2ICAM1

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
EP-1122245-B1 2-Amino-benzoxazinones for the treatment of viral infections SEARLE & CO (US) 2004-07-07 EP claimed
CN-1190963-A 2-amino-benzoxanones for the treatment of viral infections SEARLE & CO (US) 1998-08-19 CN claimed
CN-1190963-A 2-amino-benzoxanones for the treatment of viral infections SEARLE & CO (US) 1998-08-19 CN disclosed