SCHEMBL30387111

SCHEMBL30387111

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

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 12/20 0.57
▸ GRIK1 P39086 3/20 0.46
▸ NHERF1 O14745 2/20 0.45
▸ KCNK2 O95069 2/20 0.45
▸ KCNK10 P57789 2/20 0.45
▸ KIF11 P52732 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
SCHEMBL28991301 1.00 STING1 (0.57) STING1GRIK1NHERF1KCNK2KCNK10
SCHEMBL30885397 0.94 STING1 (0.51) STING1GRIK1NHERF1KCNK2KCNK10
SCHEMBL30885459 0.94 STING1 (0.51) STING1GRIK1NHERF1KCNK2KCNK10
SCHEMBL30885448 0.91 STING1 (0.57) STING1GRIK1KCNK2KCNK10KIF11
SCHEMBL30885386 0.88 STING1 (0.58) STING1KCNK2KIF11
SCHEMBL30885389 0.87 STING1 (0.57) STING1KCNK2KCNK10KIF11
SCHEMBL30885429 0.87 STING1 (0.51) STING1KIF11
SCHEMBL30885400 0.86 STING1 (0.47) STING1GRIK1
SCHEMBL28991278 0.86 STING1 (0.62) STING1GRIK1NHERF1
SCHEMBL30387362 0.86 STING1 (0.62) STING1GRIK1NHERF1

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 3 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-117756698-A Urea compound and medical application thereof as STING inhibitor 中国药科大学 2024-03-26 — — 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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