SCHEMBL4767904

SCHEMBL4767904

COc1ccc(Cn2c(/C=C/c3cnn(C)c3)c([N+](=O)[O-])c(=O)n(Cc3ccccc3F)c2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PCK1 P35558 1/20 0.35
DCTPP1 Q9H773 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
SCHEMBL4762383 0.92 MAPT (0.42) MAPTALDH1A1MAPK1SMN1; SMN2TP53
SCHEMBL4767816 0.91 MAPT (0.42) MAPTALDH1A1MAPK1SMN1; SMN2TP53
SCHEMBL4767823 0.91 MAPT (0.42) MAPTALDH1A1MAPK1SMN1; SMN2TP53
SCHEMBL4762425 0.91 ALDH1A1 (0.39) MAPTALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL4763451 0.91 MAPT (0.52) MAPTALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL4763446 0.91 MAPT (0.52) MAPTALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL4767860 0.90 ALDH1A1 (0.40) MAPTALDH1A1MAPK1SMN1; SMN2TP53
SCHEMBL4769234 0.88 NPBWR1 (0.41) MAPTALDH1A1MAPK1SMN1; SMN2TP53
SCHEMBL4794079 0.85 MAPT (0.38) MAPTALDH1A1MAPK1SMN1; SMN2TP53
SCHEMBL4794085 0.85 MAPT (0.38) MAPTALDH1A1MAPK1SMN1; SMN2TP53

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