SCHEMBL7830822

SCHEMBL7830822

COC(=O)[C@H](Cc1ccc(I)cc1)Nc1nc2ccc(NC(=O)OC(C)(C)C)c(C)c2c(=O)o1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.61
CTRB1 P17538 5/20 0.61
KLK5 Q9Y337 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
AGTR1 P30556 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LCK P06239 1/20 0.33

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
SCHEMBL6499066 0.93 ELANE (0.64) ELANECTRB1
SCHEMBL7838428 0.92 ELANE (0.61) ELANECTRB1
SCHEMBL7837321 0.92 ELANE (0.70) ELANECTRB1KLK5ALDH1A1LMNA
SCHEMBL7839374 0.90 ELANE (0.59) ELANECTRB1KLK5LCK
SCHEMBL7840236 0.89 ELANE (0.59) ELANECTRB1KLK5LCK
SCHEMBL6498011 0.85 ELANE (0.63) ELANECTRB1
SCHEMBL6496223 0.85 ELANE (0.72) ELANECTRB1ALDH1A1LMNATP53
SCHEMBL6503996 0.83 ELANE (0.60) ELANECTRB1LCK
SCHEMBL6498666 0.83 ELANE (0.62) ELANECTRB1LCK
SCHEMBL6800825 0.82 ELANE (0.61) ELANECTRB1LCK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828721-B1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS SEARLE & CO (US) 2001-11-14 EP claimed