SCHEMBL30697669

SCHEMBL30697669

CCOC(=O)c1sc2cccc(Cl)c2c1COc1ccc(C(N)=O)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 6/20 0.55
KDM4E B2RXH2 6/20 0.53
ALDH1A1 P00352 5/20 0.53
MAPK1 P28482 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
MAPT P10636 6/20 0.44
HPGD P15428 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
PPARG P37231 1/20 0.44
NCOA2 Q15596 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
SIRT3 Q9NTG7 1/20 0.42
GAA P10253 3/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MCL1 Q07820 1/20 0.40

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
SCHEMBL23635917 1.00 STING1 (0.55) STING1KDM4EALDH1A1MAPK1L3MBTL1
SCHEMBL23635919 0.92 STING1 (0.57) STING1KDM4EALDH1A1MAPK1L3MBTL1
SCHEMBL30697667 0.92 STING1 (0.57) STING1KDM4EALDH1A1MAPK1L3MBTL1
SCHEMBL23630785 0.90 STING1 (0.62) STING1KDM4EALDH1A1MAPK1L3MBTL1
SCHEMBL23630807 0.89 STING1 (0.69) STING1MAPK1HTTMCL1
SCHEMBL23112009 0.88 STING1 (0.60) STING1KDM4EALDH1A1MAPK1L3MBTL1
SCHEMBL30697670 0.87 STING1 (0.53) STING1KDM4EALDH1A1MAPK1L3MBTL1
SCHEMBL23635920 0.87 STING1 (0.53) STING1KDM4EALDH1A1MAPK1L3MBTL1
SCHEMBL23635875 0.85 ALDH1A1 (0.59) STING1KDM4EALDH1A1MAPK1L3MBTL1
SCHEMBL30697675 0.85 ALDH1A1 (0.59) STING1KDM4EALDH1A1MAPK1L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3793988-B1 SUBSTITUTED CONDENSED THIOPHENES AS MODULATORS OF STING CTXT PTY LTD (AU) 2023-11-15 EP disclosed