SCHEMBL22326103

SCHEMBL22326103

CC(C)Nc1ccc(Br)c(F)c1[N+](=O)[O-].CC(C)Nc1cccc(F)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.36
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 3/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RXFP1 Q9HBX9 1/20 0.32
ARNT P27540 1/20 0.32
EPAS1 Q99814 1/20 0.32
ALDH3A1 P30838 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KAT2B Q92831 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 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
SCHEMBL22325898 0.91 HCAR3 (0.41) HCAR3LMNASMN1; SMN2MAPTTP53
SCHEMBL4085561 0.88 LMNA (0.41) HCAR3LMNASMN1; SMN2MAPTHTT
SCHEMBL22325879 0.87 MAPT (0.35) HCAR3LMNASMN1; SMN2MAPTHTT
SCHEMBL22325943 0.86 LMNA (0.40) HCAR3LMNASMN1; SMN2MAPTHTT
SCHEMBL26668666 0.80 HCAR3 (0.36) HCAR3LMNASMN1; SMN2MAPTTP53
SCHEMBL1496397 0.79 TP53 (0.42) HCAR3LMNASMN1; SMN2MAPTTP53
SCHEMBL22325789 0.79 MAPT (0.37) HCAR3LMNASMN1; SMN2MAPTHTT
SCHEMBL16738942 0.77 PTGER4 (0.38) HCAR3LMNASMN1; SMN2MAPTHTT
SCHEMBL30893472 0.74 KMT2A (0.39) HCAR3SMN1; SMN2MAPTTP53GAA
SCHEMBL31607327 0.74 KMT2A (0.39) HCAR3SMN1; SMN2MAPTTP53GAA

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-2020162471-A1 PYRIDONE DERIVATIVE マルホ株式会社 2020-08-13 WO disclosed