SCHEMBL4767702

SCHEMBL4767702

CCCn1c(/C=C/c2cnn(Cc3ccccc3F)c2)c([N+](=O)[O-])c(=O)n(C(C)OC)c1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 10/20 0.42
ADORA2A P29274 7/20 0.42
ADORA1 P30542 7/20 0.42
MAPT P10636 4/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 2/20 0.34
PKM P14618 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 1/20 0.34
PKLR P30613 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MITF O75030 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
SCHEMBL4767715 1.00 ADORA2B (0.42) ADORA2BADORA2AADORA1MAPTPOLB
SCHEMBL4771433 0.91 MAPT (0.38) ADORA2BADORA2AADORA1MAPTPOLB
SCHEMBL4771422 0.91 MAPT (0.38) ADORA2BADORA2AADORA1MAPTPOLB
SCHEMBL4766146 0.91 ADORA2B (0.45) ADORA2BADORA2AADORA1MAPTPOLB
SCHEMBL4766136 0.91 ADORA2B (0.45) ADORA2BADORA2AADORA1MAPTPOLB
SCHEMBL4763212 0.90 ADORA2B (0.40) ADORA2BADORA2AADORA1MAPTPOLB
SCHEMBL4763210 0.90 ADORA2B (0.40) ADORA2BADORA2AADORA1MAPTPOLB
SCHEMBL4767707 0.87 ADORA2B (0.46) ADORA2BADORA2AADORA1MAPTPOLB
SCHEMBL4769328 0.86 ADORA2B (0.49) ADORA2BADORA2AADORA1MAPTPOLB
SCHEMBL4769321 0.86 ADORA2B (0.49) ADORA2BADORA2AADORA1MAPTPOLB

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