SCHEMBL8911896

SCHEMBL8911896

Cc1c(NC(=O)NC(C)C)sc2nc(C(N)CC(=O)OCc3ccccc3)oc(=O)c12

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
SLC15A1 P46059 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GHSR Q92847 1/20 0.36
ELANE P08246 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
SCHEMBL8912018 0.91 ALDH1A1 (0.39) NPSR1SMN1; SMN2ALDH1A1ELANE
SCHEMBL8913772 0.90 ITGB3 (0.39) NPSR1ALDH1A1
SCHEMBL8911361 0.90 NPSR1 (0.39) ATMNPSR1SMN1; SMN2SLC15A1ALDH1A1
SCHEMBL8912045 0.89 ALDH1A1 (0.43) NPSR1SMN1; SMN2ALDH1A1ELANE
SCHEMBL8911892 0.87 ATM (0.52) ATMNPSR1
SCHEMBL8911899 0.87 ATM (0.52) ATMNPSR1
SCHEMBL8911412 0.87 SMN1; SMN2 (0.36) NPSR1SMN1; SMN2ALDH1A1ELANE
SCHEMBL8917887 0.87 MAPT (0.40) NPSR1SMN1; SMN2ALDH1A1
SCHEMBL8911768 0.84 ALDH1A1 (0.39) NPSR1ALDH1A1
SCHEMBL8913843 0.84 NPSR1 (0.36) ATMNPSR1SMN1; SMN2SLC15A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799230-A1 THIENOXAZINONE DERIVATIVES USEFUL AS ANTIVIRAL AGENTS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed
WO-1996019482-A1 THIENOXAZINONE DERIVATIVES USEFUL AS ANTIVIRAL AGENTS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO disclosed