SCHEMBL28566937

SCHEMBL28566937

CCCn1c(NC(=O)c2cc(C)nn2CC)nc2cc(C(N)=O)cc(OCC3CN(C(=O)OC(C)(C)C)C3)c21

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 20/20 0.68
CYP3A4 P08684 1/20 0.57

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
SCHEMBL28564216 0.93 STING1 (0.70) STING1CYP3A4
SCHEMBL21158653 0.89 STING1 (0.78) STING1
SCHEMBL28564218 0.88 STING1 (0.67) STING1CYP3A4
SCHEMBL21158655 0.86 STING1 (0.74) STING1
SCHEMBL21158749 0.86 STING1 (0.81) STING1
SCHEMBL19449039 0.84 STING1 (0.82) STING1
SCHEMBL22857814 0.84 STING1 (0.90) STING1
SCHEMBL19437705 0.84 STING1 (0.85) STING1
SCHEMBL21158752 0.84 STING1 (0.75) STING1
SCHEMBL22150299 0.83 STING1 (0.92) 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-110016021-B Immunomodulator 成都先导药物开发股份有限公司 2021-05-07 CN disclosed