SCHEMBL4768024

SCHEMBL4768024

CCn1c(=O)c([N+](=O)[O-])c(C=Cc2cnn(C)c2)n(CC(C)C)c1=O.c1cc2cc-2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.39
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
ADORA3 P0DMS8 2/20 0.34
ADORA2A P29274 2/20 0.34
ADORA2B P29275 2/20 0.34
ADORA1 P30542 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
TNF P01375 1/20 0.34
LITAF Q99732 1/20 0.34
PARG Q86W56 2/20 0.34
CFTR P13569 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 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
SCHEMBL4766095 0.89 MAPT (0.39) MITFMAPTSMN1; SMN2POLBADORA2A
SCHEMBL4766101 0.89 MAPT (0.39) MITFMAPTSMN1; SMN2POLBADORA2A
SCHEMBL4793250 0.88 NPC1 (0.37) MITFMAPTSMN1; SMN2POLBADORA3
SCHEMBL4762306 0.85 MAPT (0.42) MITFMAPTSMN1; SMN2POLBMEN1
SCHEMBL4762304 0.85 MAPT (0.42) MITFMAPTSMN1; SMN2POLBMEN1
SCHEMBL4771540 0.84 ADORA2B (0.40) MITFMAPTADORA3ADORA2AADORA2B
SCHEMBL4765619 0.83 NCOA1 (0.41) MITFMAPTSMN1; SMN2POLBMEN1
SCHEMBL4765603 0.83 NCOA1 (0.41) MITFMAPTSMN1; SMN2POLBMEN1
SCHEMBL4768028 0.83 MAPK1 (0.39) MITFMAPTSMN1; SMN2POLBADORA3
SCHEMBL4768016 0.83 MAPK1 (0.39) MITFMAPTSMN1; SMN2POLBADORA3

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