SCHEMBL30885459

SCHEMBL30885459

O=C(Nc1ccc(Cc2ccc(SC(F)(F)F)cc2)cc1)Nc1c[nH]c2ccc(Cl)cc12

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 9/20 0.51
▸ NHERF1 O14745 2/20 0.47
▸ SNCA P37840 7/20 0.44
▸ GRIK1 P39086 1/20 0.41
▸ KCNK2 O95069 1/20 0.41
▸ KCNK10 P57789 1/20 0.41

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
SCHEMBL30387111 0.94 STING1 (0.57) STING1NHERF1GRIK1KCNK2KCNK10
SCHEMBL28991301 0.94 STING1 (0.57) STING1NHERF1GRIK1KCNK2KCNK10
SCHEMBL30885399 0.89 STING1 (0.52) STING1SNCAKCNK2
SCHEMBL30885397 0.88 STING1 (0.51) STING1NHERF1SNCAGRIK1KCNK2
SCHEMBL30885448 0.86 STING1 (0.57) STING1GRIK1KCNK2KCNK10
SCHEMBL30885375 0.85 STING1 (0.54) STING1NHERF1SNCAGRIK1
SCHEMBL30387260 0.84 STING1 (0.64) STING1NHERF1SNCA
SCHEMBL28991251 0.84 STING1 (0.64) STING1NHERF1SNCA
SCHEMBL30885381 0.83 STING1 (0.52) STING1NHERF1SNCA
SCHEMBL30885386 0.82 STING1 (0.58) STING1KCNK2

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-117756698-A Urea compound and medical application thereof as STING inhibitor 中国药科大学 2024-03-26 — — CN disclosed
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