SCHEMBL8549217

SCHEMBL8549217

Cc1c(NC(=O)CCC(=O)O)ccc2oc(N[C@@H](Cc3ccccc3)C(=O)O)nc(=O)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CTRB1 P17538 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
NPR3 P17342 1/20 0.38
KDM4E B2RXH2 3/20 0.37
HPSE Q9Y251 1/20 0.37
NAALAD2 Q9Y3Q0 1/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL8545041 0.88 ELANE (0.43) ELANEKMT2AMEN1ALDH1A1CTRB1
SCHEMBL8550797 0.87 ALDH1A1 (0.42) ELANEKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6499604 0.86 CTRB1 (0.56) ELANEKMT2AMEN1ALDH1A1CTRB1
SCHEMBL7659173 0.84 ATM (0.43) ELANEKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL7658844 0.79 CTRB1 (0.54) ELANEKMT2AMEN1ALDH1A1CTRB1
SCHEMBL7845338 0.79 ELANE (0.54) ELANEKMT2AMEN1CTRB1
SCHEMBL8545895 0.78 ALDH1A1 (0.50) ELANEKMT2AMEN1ALDH1A1CTRB1
SCHEMBL8549764 0.76 ELANE (0.47) ELANEKMT2AMEN1ALDH1A1CTRB1
SCHEMBL6496779 0.75 CTRB1 (0.56) ELANEKMT2AMEN1ALDH1A1CTRB1
SCHEMBL6500859 0.74 CTRB1 (0.53) ELANEKMT2AMEN1ALDH1A1CTRB1

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-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1998-03-18 EP disclosed