SCHEMBL30885397

SCHEMBL30885397

O=C(Nc1ccc(Oc2ccc(SC(F)(F)F)cc2)cc1)Nc1c[nH]c2ccc(Cl)cc12

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 11/20 0.51
▸ KDR P35968 1/20 0.42
▸ TEK Q02763 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ GRIK1 P39086 2/20 0.41
▸ NHERF1 O14745 2/20 0.41
▸ KCNK2 O95069 2/20 0.41
▸ KCNK10 P57789 2/20 0.41
▸ SNCA P37840 1/20 0.39

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 0.94 STING1 (0.57) STING1GRIK1NHERF1KCNK2KCNK10
SCHEMBL30387111 0.94 STING1 (0.57) STING1GRIK1NHERF1KCNK2KCNK10
SCHEMBL30885458 0.90 STING1 (0.53) STING1KDRTEKLMNAMAPT
SCHEMBL30885459 0.88 STING1 (0.51) STING1GRIK1NHERF1KCNK2KCNK10
SCHEMBL30885448 0.86 STING1 (0.57) STING1GRIK1KCNK2KCNK10
SCHEMBL30885386 0.84 STING1 (0.58) STING1MAPTKCNK2
SCHEMBL30387344 0.84 STING1 (0.64) STING1
SCHEMBL28991900 0.84 STING1 (0.64) STING1
SCHEMBL30885398 0.83 STING1 (0.72) STING1
SCHEMBL30387020 0.83 STING1 (0.61) 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 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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