SCHEMBL28924801

SCHEMBL28924801

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

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 18/20 0.58
CYP3A4 P08684 1/20 0.51
ENPP1 P22413 2/20 0.49

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
SCHEMBL28924799 1.00 STING1 (0.58) STING1CYP3A4ENPP1
SCHEMBL28640084 0.94 STING1 (0.55) STING1CYP3A4
SCHEMBL28640087 0.94 STING1 (0.55) STING1CYP3A4
SCHEMBL27204069 0.91 STING1 (0.64) STING1CYP3A4ENPP1
SCHEMBL27204000 0.91 STING1 (0.64) STING1CYP3A4ENPP1
SCHEMBL28643604 0.91 STING1 (0.56) STING1
SCHEMBL28643602 0.91 STING1 (0.56) STING1
SCHEMBL28639271 0.90 STING1 (0.62) STING1CYP3A4ENPP1
SCHEMBL28639272 0.90 STING1 (0.62) STING1CYP3A4ENPP1
SCHEMBL28645989 0.90 STING1 (0.51) 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-110016025-B Immunomodulator 成都先导药物开发股份有限公司 2021-08-06 CN disclosed