SCHEMBL8912699

SCHEMBL8912699

C[C@H](NC(=O)OCc1ccccc1)c1nc2sccc2c(=O)o1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.60
ELANE P08246 1/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TACR1 P25103 1/20 0.41

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
SCHEMBL8912712 1.00 ATM (0.60) ATMELANEMEN1KMT2ATACR1
SCHEMBL8911744 0.79 ATM (0.56) ATMTACR1
SCHEMBL8913662 0.79 ATM (0.56) ATM
SCHEMBL8911753 0.79 ATM (0.56) ATMTACR1
SCHEMBL8913640 0.79 ATM (0.56) ATM
SCHEMBL8912223 0.78 ATM (0.53) ATM
SCHEMBL8912215 0.78 ATM (0.53) ATM
SCHEMBL8911934 0.78 ATM (0.55) ATMTACR1
SCHEMBL8911942 0.78 ATM (0.55) ATMTACR1
SCHEMBL29450501 0.76 ATM (1.00) ATMELANETACR1

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