SCHEMBL28645990

SCHEMBL28645990

CCn1nc(C)cc1C(=O)Nc1nc2cccnc2n1CC=CCNc1c(OCC2COC2)cc(C(N)=O)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 19/20 0.51
ENPP1 P22413 1/20 0.44

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
SCHEMBL28645989 1.00 STING1 (0.51) STING1ENPP1
SCHEMBL28650836 0.94 STING1 (0.51) STING1
SCHEMBL28650840 0.94 STING1 (0.51) STING1
SCHEMBL28643604 0.93 STING1 (0.56) STING1
SCHEMBL28643602 0.93 STING1 (0.56) STING1
SCHEMBL28628440 0.91 STING1 (0.53) STING1ENPP1
SCHEMBL28628439 0.91 STING1 (0.53) STING1ENPP1
SCHEMBL28924799 0.90 STING1 (0.58) STING1ENPP1
SCHEMBL28924801 0.90 STING1 (0.58) STING1ENPP1
SCHEMBL28640084 0.90 STING1 (0.55) 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-110016025-B Immunomodulator 成都先导药物开发股份有限公司 2021-08-06 CN disclosed