SCHEMBL4768010

SCHEMBL4768010

CC(C)Cn1c(/C=C/c2cnn(C)c2)c([N+](=O)[O-])c(=O)n(C(C)c2ccccc2)c1=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.36
MAPT P10636 3/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DCTPP1 Q9H773 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PARG Q86W56 2/20 0.34
LMNA P02545 2/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL4793242 0.90 SMN1; SMN2 (0.37) MITFMAPTPOLBSMN1; SMN2DCTPP1
SCHEMBL4771114 0.89 MAPT (0.40) MITFMAPTPOLBSMN1; SMN2DCTPP1
SCHEMBL4771142 0.89 MAPT (0.40) MITFMAPTPOLBSMN1; SMN2DCTPP1
SCHEMBL4766101 0.86 MAPT (0.39) MITFMAPTPOLBSMN1; SMN2MEN1
SCHEMBL4766095 0.86 MAPT (0.39) MITFMAPTPOLBSMN1; SMN2MEN1
SCHEMBL4771526 0.84 ADORA2A (0.34) MAPTPOLBDCTPP1ALDH1A1ADORA3
SCHEMBL4768028 0.84 MAPK1 (0.39) MITFMAPTPOLBSMN1; SMN2MEN1
SCHEMBL4768016 0.84 MAPK1 (0.39) MITFMAPTPOLBSMN1; SMN2MEN1
SCHEMBL4764001 0.83 ADORA2A (0.37) MAPK1ALDH1A1ADORA3ADORA2AADORA2B
SCHEMBL4863582 0.82 DCTPP1 (0.37) SMN1; SMN2DCTPP1MEN1KMT2AALDH1A1

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