SCHEMBL30387511

SCHEMBL30387511

O=C(Nc1ccc(CCc2ccc(C(F)(F)F)cc2)cc1F)Nc1c[nH]c2ccc(Cl)cc12

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 13/20 0.51
▸ STING1 Q86WV6 2/20 0.48
▸ CNR1 P21554 1/20 0.42
▸ GRIK1 P39086 1/20 0.41
▸ NHERF1 O14745 1/20 0.40
▸ CHRNA7 P36544 1/20 0.40

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
SCHEMBL28991293 1.00 SNCA (0.51) SNCASTING1CNR1GRIK1NHERF1
SCHEMBL28991331 0.89 STING1 (0.52) SNCASTING1GRIK1CHRNA7
SCHEMBL30386339 0.89 STING1 (0.52) SNCASTING1GRIK1CHRNA7
SCHEMBL30885411 0.82 STING1 (0.70) SNCASTING1GRIK1NHERF1
SCHEMBL28991333 0.78 STING1 (0.56) SNCASTING1CNR1GRIK1NHERF1
SCHEMBL30387083 0.78 STING1 (0.56) SNCASTING1CNR1GRIK1NHERF1
SCHEMBL30387362 0.77 STING1 (0.62) SNCASTING1GRIK1NHERF1
SCHEMBL28991278 0.77 STING1 (0.62) SNCASTING1GRIK1NHERF1
SCHEMBL30885381 0.75 STING1 (0.52) SNCASTING1CNR1NHERF1
SCHEMBL23207649 0.74 STING1 (0.65) STING1CNR1GRIK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116023321-B STING inhibitor prodrug and medical application thereof 中国药科大学 2024-11-29 — — CN disclosed
CN-116023321-A STING inhibitor prodrug and medical application thereof 中国药科大学 2023-04-28 — — CN disclosed
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