SCHEMBL29137193

SCHEMBL29137193

C#CCc1ccc(-n2c(=O)c([N+](=O)[O-])c(N3CCN(C(c4ccc(F)cc4)c4ccccc4OC)CC3)c3nc(C#N)ccc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 11/20 0.61
DGKZ Q13574 10/20 0.61
DGKI O75912 3/20 0.61
DGKG P49619 2/20 0.61
DGKB Q9Y6T7 2/20 0.61
DGKK Q5KSL6 1/20 0.61
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 2/20 0.33
ACHE P22303 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GNRHR P30968 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL29137245 0.92 DGKA (0.59) DGKADGKZDGKIDGKGDGKB
SCHEMBL23293219 0.87 DGKA (0.65) DGKADGKZDGKIDGKGDGKB
SCHEMBL23293265 0.85 DGKA (0.84) DGKADGKZDGKIDGKGDGKB
SCHEMBL30422576 0.82 DGKZ (0.76) DGKADGKZDGKIDGKGDGKB
SCHEMBL23293563 0.82 DGKZ (0.76) DGKADGKZDGKIDGKGDGKB
SCHEMBL23293323 0.82 DGKA (0.64) DGKADGKZDGKIDGKGDGKB
SCHEMBL23293506 0.80 DGKA (0.81) DGKADGKZDGKIDGKGDGKB
SCHEMBL23293415 0.78 DGKA (0.78) DGKADGKZDGKIDGKGDGKB
SCHEMBL23293504 0.78 DGKA (0.64) DGKADGKZDGKIDGKGDGKB
SCHEMBL23293461 0.77 DGKA (0.76) DGKADGKZDGKIDGKGDGKB

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-112585139-B Naphthyridinone compounds as T cell activators 百时美施贵宝公司 2023-12-01 CN disclosed