SCHEMBL24611698

SCHEMBL24611698

CC(C)(C)OC(=O)NC/C=C/CNc1c(N)cc(C(N)=O)cc1OCCCOSC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 4/20 0.35
CYP3A4 P08684 1/20 0.34
CA1 P00915 6/20 0.32
CA2 P00918 6/20 0.32
CA12 O43570 5/20 0.32
CA9 Q16790 5/20 0.32

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
SCHEMBL23077453 0.89 STING1 (0.40) STING1CYP3A4CA1CA2CA12
SCHEMBL22121412 0.88 STING1 (0.38) STING1CYP3A4CA1CA2CA12
SCHEMBL29436988 0.85 STING1 (0.37) STING1CYP3A4
SCHEMBL23095351 0.85 STING1 (0.37) STING1CYP3A4
SCHEMBL31016354 0.84 STING1 (0.36) STING1CYP3A4
SCHEMBL29012734 0.83 STING1 (0.45) STING1CYP3A4
SCHEMBL20889072 0.83 STING1 (0.45) STING1CYP3A4
SCHEMBL29406354 0.83 STING1 (0.45) STING1CYP3A4
SCHEMBL25098877 0.83 STING1 (0.46) STING1CYP3A4CA1CA2CA12
SCHEMBL29868394 0.83 STING1 (0.46) STING1CYP3A4CA1CA2CA12

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-3802534-B1 TRICYCLIC HETEROCYCLIC COMPOUNDS AS STING ACTIVATORS INCYTE CORP (US) 2022-07-13 EP disclosed