SCHEMBL29784368

SCHEMBL29784368

COC(=O)c1ccc(OC)c2cc(CNC(=O)c3cnn4cccnc34)oc12

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 9/20 0.74
KDM4E B2RXH2 3/20 0.55
MAPT P10636 1/20 0.55
IRAK4 Q9NWZ3 6/20 0.54
LMNA P02545 1/20 0.52
HSD17B10 Q99714 2/20 0.51
PKM P14618 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL27185446 1.00 STING1 (0.74) STING1KDM4EMAPTIRAK4LMNA
SCHEMBL30829631 0.93 STING1 (0.69) STING1KDM4EMAPTIRAK4HSD17B10
SCHEMBL27185698 0.93 STING1 (0.69) STING1KDM4EMAPTIRAK4HSD17B10
SCHEMBL27185529 0.90 STING1 (0.78) STING1KDM4EMAPTIRAK4LMNA
SCHEMBL27185781 0.90 STING1 (0.75) STING1KDM4EMAPTIRAK4LMNA
SCHEMBL27185881 0.90 STING1 (0.75) STING1KDM4EMAPTIRAK4LMNA
SCHEMBL29784478 0.90 STING1 (0.78) STING1KDM4EMAPTIRAK4LMNA
SCHEMBL29784431 0.90 STING1 (0.75) STING1KDM4EMAPTIRAK4LMNA
SCHEMBL29784432 0.90 STING1 (0.75) STING1KDM4EMAPTIRAK4LMNA
SCHEMBL29784479 0.90 STING1 (0.74) STING1KDM4EMAPTIRAK4LMNA

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-2022169921-A1 BENZOFURAN COMPOUNDS AS STING AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-08-11 WO disclosed