SCHEMBL8911326

SCHEMBL8911326

COc1ccc(NC(=O)Nc2sc3nc(C(C)NC(=O)OCc4ccccc4)oc(=O)c3c2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CTSL P07711 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
TSHR P16473 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
FPR2 P25090 1/20 0.39

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
SCHEMBL8911317 1.00 ATM (0.46) ATMMEN1KMT2ACYP3A4ALDH1A1
SCHEMBL8912014 0.94 ATM (0.51) ATM
SCHEMBL8912021 0.94 ATM (0.51) ATM
SCHEMBL8917884 0.92 ATM (0.47) ATMMEN1KMT2AALDH1A1CTSK
SCHEMBL8917896 0.92 ATM (0.47) ATMMEN1KMT2AALDH1A1CTSK
SCHEMBL8911892 0.88 ATM (0.52) ATM
SCHEMBL8911899 0.88 ATM (0.52) ATM
SCHEMBL8913766 0.86 ATM (0.50) ATM
SCHEMBL8913775 0.86 ATM (0.50) ATM
SCHEMBL8911359 0.85 ATM (0.53) ATM

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