SCHEMBL22150388

SCHEMBL22150388

CCc1nc(C)oc1C(O)Nc1nc2cc(C(N)=O)cc(OCCCN3CCOCC3)c2n1C/C=C/Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)ccc21

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 20/20 0.71

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
SCHEMBL22149980 0.93 STING1 (0.76) STING1
SCHEMBL23346475 0.91 STING1 (0.76) STING1
SCHEMBL30102615 0.91 STING1 (0.85) STING1
SCHEMBL19451685 0.91 STING1 (0.85) STING1
SCHEMBL28420115 0.91 STING1 (0.85) STING1
SCHEMBL22121420 0.90 STING1 (0.71) STING1
SCHEMBL22121421 0.90 STING1 (0.71) STING1
SCHEMBL22151469 0.89 STING1 (0.67) STING1
SCHEMBL20066382 0.89 STING1 (0.83) STING1
SCHEMBL19451705 0.89 STING1 (0.82) STING1

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-2020132582-A1 STING AGONISTS AND USES THEREOF NIMBUS TITAN, INC. (US) 2020-06-25 WO disclosed