SCHEMBL23248596

SCHEMBL23248596

COC(=O)c1nn(C)cc1[N+](=O)[O-].Cn1cc([N+](=O)[O-])c(C(=O)O)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
LMNA P02545 6/20 0.49
MITF O75030 3/20 0.48
ALDH1A1 P00352 4/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
POLB P06746 3/20 0.46
MAPT P10636 2/20 0.46
THRB P10828 1/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
S1PR4 O95977 1/20 0.46
S1PR1 P21453 1/20 0.46
NTSR1 P30989 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RAB9A P51151 2/20 0.44
NPY1R P25929 1/20 0.44

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
SCHEMBL1558732 0.94 L3MBTL1 (0.60) L3MBTL1LMNAMITFALDH1A1CYP1A2
SCHEMBL1559275 0.91 L3MBTL1 (0.63) L3MBTL1LMNAMITFALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL3467161 0.89 L3MBTL1 (0.61) L3MBTL1LMNAMITFALDH1A1CYP1A2
SCHEMBL18376211 0.80 L3MBTL1 (0.44) L3MBTL1LMNAMITFALDH1A1CYP1A2
SCHEMBL20781127 0.80 L3MBTL1 (0.55) L3MBTL1LMNAMITFALDH1A1CYP1A2
SCHEMBL8302429 0.79 LMNA (0.61) L3MBTL1LMNAMITFALDH1A1CYP1A2
SCHEMBL30079200 0.77 L3MBTL1 (0.59) L3MBTL1LMNAMITFALDH1A1CYP1A2
SCHEMBL18131168 0.77 ALDH1A1 (0.50) L3MBTL1LMNAALDH1A1MEN1KMT2A
SCHEMBL1557959 0.76 L3MBTL1 (0.67) L3MBTL1LMNAMITFALDH1A1CYP1A2
SCHEMBL18048258 0.76 L3MBTL1 (0.42) L3MBTL1LMNAMITFALDH1A1CYP1A2

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
WO-2021075476-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 2021-04-22 WO disclosed