SCHEMBL4794085

SCHEMBL4794085

COc1ccc(Cn2c(=O)c([N+](=O)[O-])c(C=Cc3cnn(Cc4ccccc4F)c3)n(Cc3ccoc3)c2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.38
ADORA2A P29274 2/20 0.33
ADORA2B P29275 2/20 0.33
ADORA1 P30542 2/20 0.33
POLB P06746 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
GNRHR P30968 1/20 0.32
GABRA5 P31644 1/20 0.32
DCTPP1 Q9H773 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL4794079 1.00 MAPT (0.38) MAPTALDH1A1MAPK1ADORA2AADORA2B
SCHEMBL4767823 0.94 MAPT (0.42) MAPTALDH1A1MAPK1ADORA2AADORA2B
SCHEMBL4767816 0.94 MAPT (0.42) MAPTALDH1A1MAPK1ADORA2AADORA2B
SCHEMBL4762383 0.93 MAPT (0.42) MAPTALDH1A1MAPK1ADORA2AADORA2B
SCHEMBL4766036 0.93 ALDH1A1 (0.35) MAPTALDH1A1ADORA2AADORA2BADORA1
SCHEMBL4766042 0.93 ALDH1A1 (0.35) MAPTALDH1A1ADORA2AADORA2BADORA1
SCHEMBL4791799 0.92 NPBWR1 (0.40) MAPTALDH1A1MAPK1ADORA2AADORA2B
SCHEMBL4791802 0.92 NPBWR1 (0.40) MAPTALDH1A1MAPK1ADORA2AADORA2B
SCHEMBL4770638 0.90 ADORA2A (0.33) MAPTALDH1A1ADORA2AADORA2BADORA1
SCHEMBL4770647 0.90 ADORA2A (0.33) MAPTALDH1A1ADORA2AADORA2BADORA1

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