SCHEMBL22909082

SCHEMBL22909082

COc1nccc2sc(C(=O)O)c(C=O)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 3/20 0.49
IKBKB O14920 2/20 0.36
CDC7 O00311 2/20 0.35
DBF4 Q9UBU7 2/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
MAPK1 P28482 2/20 0.33
LMNA P02545 2/20 0.33
MCL1 Q07820 1/20 0.33
HSD17B10 Q99714 1/20 0.32
ERN1 O75460 1/20 0.32
CSNK2A1 P68400 1/20 0.32
HIPK2 Q9H2X6 1/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
EDNRA P25101 1/20 0.31
LRRK2 Q5S007 1/20 0.31

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
SCHEMBL29513312 0.84 HSD17B10 (0.49) STING1CDC7DBF4MAPK1LMNA
SCHEMBL22908993 0.84 HSD17B10 (0.49) STING1CDC7DBF4MAPK1LMNA
SCHEMBL22908903 0.75 STING1 (0.47) STING1MAPK1LMNAMCL1ERN1
SCHEMBL24771862 0.73 STING1 (0.34) STING1CDC7DBF4LMNAHSD17B10
SCHEMBL7848990 0.71 KDM4E (0.52) STING1IKBKBMAPK1HSD17B10KDM4E
SCHEMBL29693859 0.69 HSD17B10 (0.63) STING1CDC7DBF4MAPK1LMNA
SCHEMBL22905056 0.69 HSD17B10 (0.63) STING1CDC7DBF4MAPK1LMNA
SCHEMBL22908882 0.67 MCL1 (0.67) STING1MAPK1LMNAMCL1HSD17B10
SCHEMBL22908953 0.67 MCL1 (0.46) STING1MAPK1MCL1EDNRA
SCHEMBL23630822 0.67 STING1 (1.00) STING1IKBKB

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
WO-2021009365-A1 BENZOTHIOPHENE, THIENOPYRIDINE AND THIENOPYRIMIDINE DERIVATIVES FOR THE MODULATION OF STING CTXT PTY LIMITED (AU) 2021-01-21 WO disclosed