SCHEMBL29137191

SCHEMBL29137191

Cn1c(=O)c([N+](=O)[O-])c(N2CCN(C(CO)c3ccccc3)CC2)c2ncccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 4/20 0.67
DGKI O75912 3/20 0.67
DGKZ Q13574 3/20 0.67
DGKG P49619 2/20 0.59
DGKB Q9Y6T7 2/20 0.59
DGKK Q5KSL6 1/20 0.46
MAPT P10636 5/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MITF O75030 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
XBP1 P17861 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL23293232 0.89 DGKA (0.84) DGKADGKIDGKZDGKGDGKB
SCHEMBL30616710 0.84 DGKA (0.82) DGKADGKIDGKZDGKGDGKB
SCHEMBL29137195 0.84 DGKA (0.62) DGKADGKIDGKZDGKGDGKB
SCHEMBL30616441 0.84 DGKZ (0.68) DGKADGKIDGKZDGKGDGKB
SCHEMBL23293283 0.84 DGKZ (0.68) DGKADGKIDGKZDGKGDGKB
SCHEMBL23293213 0.80 DGKA (1.00) DGKADGKIDGKZDGKGDGKB
SCHEMBL23293420 0.80 DGKA (0.68) DGKADGKIDGKZDGKGDGKB
SCHEMBL30616467 0.80 DGKA (1.00) DGKADGKIDGKZDGKGDGKB
SCHEMBL23293125 0.80 DGKA (0.67) DGKADGKIDGKZDGKGDGKB
SCHEMBL30616748 0.79 DGKA (0.86) DGKADGKIDGKZDGKGDGKB

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