SCHEMBL4769321

SCHEMBL4769321

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 13/20 0.49
ADORA2A P29274 10/20 0.49
ADORA1 P30542 10/20 0.49
MAPT P10636 3/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.37
ADORA3 P0DMS8 2/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35

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
SCHEMBL4769328 1.00 ADORA2B (0.49) ADORA2BADORA2AADORA1MAPTALDH1A1
SCHEMBL4763491 0.95 ADORA2B (0.42) ADORA2BADORA2AADORA1MAPTALDH1A1
SCHEMBL4763488 0.95 ADORA2B (0.42) ADORA2BADORA2AADORA1MAPTALDH1A1
SCHEMBL4763896 0.92 ADORA2B (0.46) ADORA2BADORA2AADORA1MAPTALDH1A1
SCHEMBL4763889 0.92 ADORA2B (0.46) ADORA2BADORA2AADORA1MAPTALDH1A1
SCHEMBL4767707 0.91 ADORA2B (0.46) ADORA2BADORA2AADORA1MAPTALDH1A1
SCHEMBL4769690 0.90 ADORA2B (0.52) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4769673 0.90 ADORA2B (0.52) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4764053 0.89 ALDH1A1 (0.41) ADORA2BADORA2AADORA1MAPTALDH1A1
SCHEMBL4771427 0.87 ADORA2B (0.41) ADORA2BADORA2AADORA1MAPTALDH1A1

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