SCHEMBL8907102

SCHEMBL8907102

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ATM Q13315 1/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
CYP1A2 P05177 1/20 0.46
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PTPRC P08575 1/20 0.44
PTPRF P10586 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPA Q15257 1/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.44
GSTO1 P78417 1/20 0.44
HDAC6 Q9UBN7 1/20 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 0.84 ALDH1A1 (0.57) CTSKMEN1KMT2AKDM4EALDH1A1
SCHEMBL8907299 0.82 CTSK (0.48) CTSKMEN1KMT2AALDH1A1HTT
SCHEMBL8907072 0.82 CTSK (0.48) CTSKMEN1KMT2AALDH1A1HTT
SCHEMBL8908693 0.82 CTSK (0.48) CTSKMEN1KMT2AALDH1A1HTT
SCHEMBL8907957 0.82 PRKCZ (0.44) CTSKMEN1KMT2AATMKDM4E
SCHEMBL8913894 0.81 MEN1 (0.48) CTSKMEN1KMT2AKDM4EALDH1A1
SCHEMBL8911355 0.81 CTSK (0.48) CTSKMEN1KMT2AALDH1A1HTT
SCHEMBL11415968 0.78 CTSK (0.56) CTSKMEN1KMT2AATMCYP1A2
SCHEMBL12414363 0.77 LMNA (0.49) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL8911455 0.77 CAPN1 (0.45) CTSKMEN1KMT2AALDH1A1

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