SCHEMBL28991890

SCHEMBL28991890

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

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 12/20 0.61
▸ TRPV1 Q8NER1 1/20 0.46
▸ EPHX2 P34913 1/20 0.45
▸ IGF1R P08069 1/20 0.44
▸ NHERF1 O14745 2/20 0.44
▸ GOT1 P17174 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GRIK1 P39086 1/20 0.42

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
SCHEMBL30387020 1.00 STING1 (0.61) STING1TRPV1EPHX2IGF1RNHERF1
SCHEMBL30885398 0.92 STING1 (0.72) STING1TRPV1EPHX2IGF1RGOT1
SCHEMBL30387344 0.87 STING1 (0.64) STING1TRPV1EPHX2IGF1RGOT1
SCHEMBL28991251 0.87 STING1 (0.64) STING1TRPV1EPHX2IGF1RNHERF1
SCHEMBL30387260 0.87 STING1 (0.64) STING1TRPV1EPHX2IGF1RNHERF1
SCHEMBL28991900 0.87 STING1 (0.64) STING1TRPV1EPHX2IGF1RGOT1
SCHEMBL30885411 0.84 STING1 (0.70) STING1EPHX2NHERF1GOT1GRIK1
SCHEMBL28991235 0.83 STING1 (0.72) STING1NHERF1GRIK1
SCHEMBL30387235 0.83 STING1 (0.72) STING1NHERF1GRIK1
SCHEMBL30885397 0.83 STING1 (0.51) STING1NHERF1GRIK1

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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