SCHEMBL30099697

SCHEMBL30099697

Cn1c(=O)c([N+](=O)[O-])c(O)c2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.68
ALDH1A1 P00352 8/20 0.68
NPSR1 Q6W5P4 5/20 0.68
LMNA P02545 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
NPC1 O15118 1/20 0.68
XBP1 P17861 1/20 0.68
RAB9A P51151 1/20 0.68
PAX8 Q06710 1/20 0.68
TLR9 Q9NR96 1/20 0.68
ATM Q13315 3/20 0.60
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
NTSR1 P30989 1/20 0.59
KDM4E B2RXH2 2/20 0.58
HPGD P15428 3/20 0.56
MITF O75030 1/20 0.55
HTT P42858 1/20 0.55
GAA P10253 1/20 0.54
MAPK1 P28482 1/20 0.53

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
SCHEMBL3160763 1.00 MAPT (0.68) MAPTALDH1A1NPSR1LMNASMN1; SMN2
SCHEMBL3262089 0.81 MAPT (1.00) MAPTALDH1A1NPSR1LMNASMN1; SMN2
SCHEMBL29516939 0.81 MAPT (1.00) MAPTALDH1A1NPSR1LMNASMN1; SMN2
SCHEMBL13295325 0.81 MAPT (0.56) MAPTALDH1A1NPSR1LMNASMN1; SMN2
SCHEMBL11453080 0.79 LMNA (0.65) ALDH1A1NPSR1LMNAATMKMT2A
SCHEMBL30583271 0.78 ALDH1A1 (0.67) MAPTALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL5001108 0.78 ALDH1A1 (0.67) MAPTALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL11455384 0.77 MAPT (0.46) MAPTALDH1A1NPSR1LMNASMN1; SMN2
SCHEMBL11445281 0.77 MAPT (0.47) MAPTALDH1A1NPSR1LMNASMN1; SMN2
SCHEMBL30541541 0.77 FEN1 (0.50) MAPTALDH1A1NPSR1LMNASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115103841-B Substituted quinolinone piperazine compounds useful as T cell activators 百时美施贵宝公司 2024-12-27 CN disclosed
CN-115103841-A Substituted quinolinonyl piperazine compounds useful as T cell activators 百时美施贵宝公司 2022-09-23 CN disclosed