SCHEMBL8913894

SCHEMBL8913894

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 4/20 0.47
TSHR P16473 1/20 0.47
TP53 P04637 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CTSK P43235 3/20 0.47
MAPT P10636 5/20 0.47
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
HK1 P19367 1/20 0.47
HKDC1 Q2TB90 1/20 0.47
POLB P06746 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44

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 0.89 ALDH1A1 (0.57) MEN1KMT2AALDH1A1TSHRTP53
SCHEMBL8911455 0.87 CAPN1 (0.45) MEN1KMT2AALDH1A1TP53RXFP1
SCHEMBL8907072 0.87 CTSK (0.48) MEN1KMT2ALMNAALDH1A1TP53
SCHEMBL8908693 0.87 CTSK (0.48) MEN1KMT2ALMNAALDH1A1TP53
SCHEMBL8907299 0.87 CTSK (0.48) MEN1KMT2ALMNAALDH1A1TP53
SCHEMBL8911355 0.86 CTSK (0.48) MEN1KMT2ALMNAALDH1A1TP53
SCHEMBL8907102 0.81 CTSK (0.49) MEN1KMT2ALMNAALDH1A1CTSK
SCHEMBL8912016 0.78 CNR2 (0.52) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL11055593 0.73 MEN1 (0.61) MEN1KMT2ALMNACTSKMAPT
SCHEMBL10953796 0.73 CYP1A2 (0.61) MEN1KMT2ALMNATSHRCTSK

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