SCHEMBL8907299

SCHEMBL8907299

CCOC(=O)c1c(NC(=O)[C@H](C)NC(=O)OCc2ccccc2)sc(N)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.48
MAPT P10636 7/20 0.46
ALDH1A1 P00352 7/20 0.46
NPSR1 Q6W5P4 4/20 0.46
HPGD P15428 3/20 0.46
TP53 P04637 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
POLB P06746 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
LGMN Q99538 1/20 0.43

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
SCHEMBL8913629 0.90 ALDH1A1 (0.57) CTSKMAPTALDH1A1NPSR1HPGD
SCHEMBL8908693 0.88 CTSK (0.48) CTSKMAPTALDH1A1NPSR1HPGD
SCHEMBL8907072 0.88 CTSK (0.48) CTSKMAPTALDH1A1NPSR1HPGD
SCHEMBL8913894 0.87 MEN1 (0.48) CTSKMAPTALDH1A1NPSR1HPGD
SCHEMBL8911355 0.87 CTSK (0.48) CTSKMAPTALDH1A1NPSR1HPGD
SCHEMBL8911455 0.83 CAPN1 (0.45) CTSKMAPTALDH1A1TP53RXFP1
SCHEMBL8907102 0.82 CTSK (0.49) CTSKALDH1A1HPGDMEN1KMT2A
SCHEMBL8912016 0.78 CNR2 (0.52) CTSKMAPTALDH1A1NPSR1HPGD
SCHEMBL8907957 0.78 PRKCZ (0.44) CTSKMAPTALDH1A1MEN1KMT2A
SCHEMBL11055593 0.73 MEN1 (0.61) CTSKMAPTMEN1KMT2ACYP1A2

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