SCHEMBL28991332

SCHEMBL28991332

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

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 11/20 0.72
▸ MTOR P42345 1/20 0.55
▸ EPHX2 P34913 1/20 0.54
▸ GOT1 P17174 1/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ TRPV1 Q8NER1 1/20 0.47
▸ GRIK1 P39086 1/20 0.46
▸ BAZ1A Q9NRL2 1/20 0.46

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
SCHEMBL30386673 1.00 STING1 (0.72) STING1MTOREPHX2GOT1MEN1
SCHEMBL22803837 0.91 STING1 (0.77) STING1MTOREPHX2GOT1MEN1
SCHEMBL23206890 0.90 STING1 (0.58) STING1MTOREPHX2GOT1
SCHEMBL23207919 0.88 STING1 (0.60) STING1MTOREPHX2GOT1
SCHEMBL23208193 0.88 STING1 (0.65) STING1MTOREPHX2GOT1MEN1
SCHEMBL23167133 0.87 STING1 (0.70) STING1MTOREPHX2GOT1MEN1
SCHEMBL30885411 0.87 STING1 (0.70) STING1MTOREPHX2GOT1MEN1
SCHEMBL22803694 0.86 STING1 (0.69) STING1MTOREPHX2GOT1MEN1
SCHEMBL23207917 0.85 STING1 (0.65) STING1MTOREPHX2GOT1MEN1
SCHEMBL30195938 0.85 STING1 (0.65) STING1MTOREPHX2GOT1MEN1

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