SCHEMBL8912016

SCHEMBL8912016

CCc1c(C)sc(NC(=O)[C@H](C)NC(=O)OCc2ccccc2)c1C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.52
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 5/20 0.51
HPGD P15428 4/20 0.51
CASP1 P29466 4/20 0.51
HSD17B10 Q99714 4/20 0.51
TSHR P16473 3/20 0.51
NPSR1 Q6W5P4 3/20 0.51
MAPT P10636 7/20 0.47
MAPK1 P28482 3/20 0.47
CASP7 P55210 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
BAP1 Q92560 1/20 0.47
LMNA P02545 3/20 0.46
RXFP1 Q9HBX9 2/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46

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 0.84 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDCASP1HSD17B10
SCHEMBL8907299 0.78 CTSK (0.48) ALDH1A1HPGDNPSR1MAPTLMNA
SCHEMBL8908693 0.78 CTSK (0.48) ALDH1A1HPGDNPSR1MAPTLMNA
SCHEMBL8907072 0.78 CTSK (0.48) ALDH1A1HPGDNPSR1MAPTLMNA
SCHEMBL8913894 0.78 MEN1 (0.48) ALDH1A1KDM4EHPGDTSHRNPSR1
SCHEMBL8911355 0.77 CTSK (0.48) ALDH1A1HPGDNPSR1MAPTLMNA
SCHEMBL8907102 0.76 CTSK (0.49) ALDH1A1KDM4EHPGDMAPK1LMNA
SCHEMBL11055593 0.73 MEN1 (0.61) MAPTLMNAMEN1KMT2ACTSK
SCHEMBL8908677 0.73 CTSK (0.52) LMNAMEN1KMT2ACTSKCTSL
SCHEMBL11415968 0.72 CTSK (0.56) L3MBTL1LMNAMEN1KMT2ACTSK

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