SCHEMBL7845338

SCHEMBL7845338

COC(=O)[C@H](Cc1ccccc1)Nc1nc2ccc(NC(=O)CCC(=O)O)c(C)c2c(=O)o1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ELANE P08246 15/20 0.54
CTRB1 P17538 4/20 0.54
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PARP1 P09874 1/20 0.39
PARP3 Q9Y6F1 1/20 0.39

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
SCHEMBL6499604 0.92 CTRB1 (0.56) ELANECTRB1MEN1KMT2A
SCHEMBL7839307 0.90 ELANE (0.55) ELANECTRB1MEN1KMT2A
SCHEMBL7843279 0.88 ELANE (0.51) ELANECTRB1MEN1KMT2A
SCHEMBL7837321 0.85 ELANE (0.70) ELANECTRB1
SCHEMBL7658844 0.84 CTRB1 (0.54) ELANECTRB1MEN1KMT2A
SCHEMBL6496779 0.84 CTRB1 (0.56) ELANECTRB1MEN1KMT2A
SCHEMBL6500859 0.80 CTRB1 (0.53) ELANECTRB1MEN1KMT2A
SCHEMBL6595086 0.80 ELANE (0.74) ELANECTRB1
SCHEMBL27477143 0.80 ELANE (0.74) ELANECTRB1
SCHEMBL7658836 0.79 CTRB1 (0.53) ELANECTRB1MEN1KMT2A

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