SCHEMBL8908693

SCHEMBL8908693

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.48
TP53 P04637 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MAPT P10636 5/20 0.45
POLB P06746 2/20 0.45
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 4/20 0.45
NPSR1 Q6W5P4 3/20 0.45
MEN1 O00255 3/20 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
HPGD P15428 2/20 0.44
RAD52 P43351 1/20 0.43
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LGMN Q99538 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
SCHEMBL8913629 0.90 ALDH1A1 (0.57) CTSKTP53MAPTPOLBALDH1A1
SCHEMBL8907072 0.88 CTSK (0.48) CTSKTP53RXFP1MAPTPOLB
SCHEMBL8907299 0.88 CTSK (0.48) CTSKTP53RXFP1MAPTPOLB
SCHEMBL8913894 0.87 MEN1 (0.48) CTSKTP53RXFP1MAPTPOLB
SCHEMBL8911355 0.87 CTSK (0.48) CTSKTP53RXFP1MAPTPOLB
SCHEMBL8911455 0.83 CAPN1 (0.45) CTSKTP53RXFP1MAPTPOLB
SCHEMBL8907102 0.82 CTSK (0.49) CTSKALDH1A1KMT2AMEN1CYP1A2
SCHEMBL8912016 0.78 CNR2 (0.52) CTSKTP53RXFP1MAPTPOLB
SCHEMBL11055593 0.73 MEN1 (0.61) CTSKMAPTKMT2AMEN1CYP1A2
SCHEMBL2949041 0.73 CTSK (0.57) CTSKKMT2AMEN1LMNANPC1

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