SCHEMBL8907957

SCHEMBL8907957

CCOC(=O)c1c(O)csc1N.CCOC(=O)c1c(OC)csc1NC(=O)[C@H](C)NC(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 2/20 0.44
AAK1 Q2M2I8 1/20 0.41
PTPN1 P18031 2/20 0.41
CTSK P43235 2/20 0.41
HDAC6 Q9UBN7 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 2/20 0.38
LGMN Q99538 1/20 0.38
LMNA P02545 1/20 0.38
GPR35 Q9HC97 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
CTSB P07858 1/20 0.38

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
SCHEMBL8907102 0.82 CTSK (0.49) PTPN1CTSKHDAC6KDM4EALDH1A1
SCHEMBL8911941 0.78 ATM (0.43) ATM
SCHEMBL8907299 0.78 CTSK (0.48) CTSKALDH1A1HTTMEN1KMT2A
SCHEMBL12414363 0.76 LMNA (0.49) PTPN1KDM4EALDH1A1HTTMEN1
SCHEMBL8913629 0.74 ALDH1A1 (0.57) CTSKKDM4EALDH1A1MEN1KMT2A
SCHEMBL8907072 0.73 CTSK (0.48) CTSKALDH1A1HTTMEN1KMT2A
SCHEMBL8908693 0.73 CTSK (0.48) CTSKALDH1A1HTTMEN1KMT2A
SCHEMBL8913894 0.72 MEN1 (0.48) PRKCZCTSKKDM4EALDH1A1MEN1
SCHEMBL8911355 0.71 CTSK (0.48) CTSKALDH1A1HTTMEN1KMT2A
SCHEMBL8912016 0.69 CNR2 (0.52) CTSKKDM4EALDH1A1MEN1KMT2A

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