SCHEMBL31066898

SCHEMBL31066898

CCn1nc(C)cc1C(=O)Nc1nc2cc(C(=O)OC)cc(OC)c2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 18/20 0.52
IRF3 Q14653 1/20 0.50
ENPP1 P22413 2/20 0.46

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
SCHEMBL29791276 0.92 STING1 (0.52) STING1IRF3ENPP1
SCHEMBL25831201 0.91 STING1 (0.63) STING1ENPP1
SCHEMBL29675240 0.91 STING1 (0.63) STING1ENPP1
Hydrochloric Acid SCHEMBL31066892 0.91 STING1 (0.62) STING1ENPP1
SCHEMBL29899007 0.80 STING1 (0.65) STING1
SCHEMBL30605015 0.80 STING1 (0.59) STING1ENPP1
SCHEMBL30803059 0.79 STING1 (0.57) STING1ENPP1
SCHEMBL21789703 0.78 STING1 (0.52) STING1ENPP1
Hydrochloric Acid SCHEMBL28599194 0.77 STING1 (0.55) STING1
SCHEMBL30084083 0.76 STING1 (0.58) STING1ENPP1

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-118510770-A Fused heteroaryl hydroxamic acids as STING agonists 比西切姆有限公司 2024-08-16 CN disclosed