SCHEMBL29200511

SCHEMBL29200511

CCn1nc(C)cc1C(=O)Nc1nc2cc(C(N)=O)cc(OCCCN3CCOCC3)c2n1CCCOC(=O)NC(C)(C)C

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 20/20 0.76

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
SCHEMBL22135380 0.91 STING1 (0.82) STING1
SCHEMBL21789961 0.91 STING1 (0.86) STING1
SCHEMBL21789976 0.91 STING1 (0.84) STING1
SCHEMBL29200513 0.89 STING1 (0.63) STING1
SCHEMBL19451494 0.88 STING1 (0.95) STING1
SCHEMBL30106303 0.88 STING1 (0.77) STING1
SCHEMBL27203962 0.88 STING1 (0.77) STING1
Hydrochloric Acid SCHEMBL27204007 0.87 STING1 (0.76) STING1
Hydrochloric Acid SCHEMBL30107085 0.87 STING1 (0.76) STING1
SCHEMBL23637160 0.87 STING1 (0.85) 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
CN-117658992-A Benzimidazole compound, preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2024-03-08 CN disclosed