SCHEMBL4762306

SCHEMBL4762306

CCn1c(C=Cc2cnn(C)c2)c([N+](=O)[O-])c(=O)n(CC)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 3/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
MAPK1 P28482 1/20 0.40
MITF O75030 2/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.34
AGTR1 P30556 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TLR9 Q9NR96 1/20 0.34
CYP1A2 P05177 1/20 0.33

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
SCHEMBL4762304 1.00 MAPT (0.42) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL4762500 0.94 MAPT (0.40) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL4762507 0.94 MAPT (0.40) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL4771168 0.89 NCOA1 (0.41) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL4763392 0.88 NCOA1 (0.44) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL4763390 0.88 NCOA1 (0.44) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL4766095 0.86 MAPT (0.39) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL4766101 0.86 MAPT (0.39) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL4768024 0.85 MITF (0.39) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL4769139 0.84 MAPT (0.42) MAPTSMN1; SMN2POLBMEN1KMT2A

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
EP-1678181-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-12-31 EP disclosed