SCHEMBL8911764

SCHEMBL8911764

CCCCCC(=O)Nc1sc2nc([C@H](C)NC(=O)OCc3ccccc3)oc(=O)c2c1C

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.39
MAOB P27338 1/20 0.38

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
SCHEMBL8911772 1.00 ATM (0.48) ATMNPSR1MAOB
SCHEMBL8911415 0.88 ATM (0.47) ATMNPSR1
SCHEMBL8911408 0.88 ATM (0.47) ATMNPSR1
SCHEMBL8911359 0.87 ATM (0.53) ATMNPSR1
SCHEMBL8912049 0.87 ATM (0.53) ATMNPSR1
SCHEMBL8912043 0.87 ATM (0.53) ATMNPSR1
SCHEMBL8911363 0.87 ATM (0.53) ATMNPSR1
SCHEMBL8911768 0.86 ALDH1A1 (0.39) NPSR1MAOB
SCHEMBL8911892 0.86 ATM (0.52) ATMNPSR1
SCHEMBL8911899 0.86 ATM (0.52) ATMNPSR1

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