SCHEMBL8911455

SCHEMBL8911455

CCCCCC(=O)Nc1sc(NC(=O)[C@H](C)NC(=O)OCc2ccccc2)c(C(=O)OCC)c1C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.45
CAPN2 P17655 1/20 0.45
CNR2 P34972 1/20 0.43
POLB P06746 1/20 0.43
CTSK P43235 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
RAD52 P43351 1/20 0.43
MBOAT4 Q96T53 1/20 0.43
SIRT2 Q8IXJ6 6/20 0.42
SIRT1 Q96EB6 4/20 0.42
GAA P10253 1/20 0.42
TP53 P04637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
SIRT3 Q9NTG7 1/20 0.42

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
SCHEMBL8913894 0.87 MEN1 (0.48) CAPN1CAPN2POLBCTSKMEN1
SCHEMBL8913629 0.84 ALDH1A1 (0.57) POLBCTSKMEN1KMT2AALDH1A1
SCHEMBL8908693 0.83 CTSK (0.48) POLBCTSKMEN1KMT2AALDH1A1
SCHEMBL8907299 0.83 CTSK (0.48) POLBCTSKMEN1KMT2AALDH1A1
SCHEMBL8907072 0.83 CTSK (0.48) POLBCTSKMEN1KMT2AALDH1A1
SCHEMBL8911355 0.81 CTSK (0.48) POLBCTSKMEN1KMT2AALDH1A1
SCHEMBL8907102 0.77 CTSK (0.49) CTSKMEN1KMT2AALDH1A1
SCHEMBL8912016 0.73 CNR2 (0.52) CNR2POLBCTSKMEN1KMT2A
SCHEMBL8911772 0.71 ATM (0.48)
SCHEMBL8908677 0.70 CTSK (0.52) CTSKMEN1KMT2A

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