SCHEMBL28834317

SCHEMBL28834317

NC(=O)OCc1cc(Cl)nnc1-n1ccnc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 3/20 0.35
▸ ADH5 P11766 3/20 0.33
▸ CYP3A4 P08684 2/20 0.32
▸ ICAM1 P05362 1/20 0.32
▸ SELE P16581 1/20 0.32
▸ VCAM1 P19320 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MITF O75030 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ ENPP2 Q13822 1/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.32

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
SCHEMBL28834366 0.79 MAPT (0.35) IDO1ADH5ICAM1SELEVCAM1
SCHEMBL23015381 0.77 PIK3CD (0.40) IDO1ADH5MAPTMEN1KMT2A
SCHEMBL23024830 0.74 L3MBTL1 (0.42) IDO1MAPK1MAPTKDM4ELMNA
SCHEMBL28834293 0.73 TDP1 (0.39) CYP1A2CYP2D6CYP2C19MEN1ALDH1A1
SCHEMBL16314611 0.63 ALDH1A1 (0.50) ALDH1A1
SCHEMBL29030119 0.62 IDO1 (0.47) IDO1CYP3A4CYP1A2CYP2D6MAPK1
SCHEMBL25400027 0.60 L3MBTL1 (0.44) IDO1CYP1A2CYP2D6CYP2C19MAPT
SCHEMBL286760 0.60 IDO1 (0.57) IDO1MAPTMEN1ALDH1A1KMT2A
SCHEMBL16291117 0.59 CYP3A4 (0.41) CYP3A4CYP1A2MAPK1MAPTMEN1
SCHEMBL11181964 0.59 CASP3 (0.48) IDO1MAPTMEN1ALDH1A1KMT2A

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-114981256-A Single-ring agonists of the interferon gene stimulator STING 斯克里普斯研究学院 2022-08-30 — — CN disclosed
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