SCHEMBL4769133

SCHEMBL4769133

COC(C)n1c(/C=C/c2cnn(C)c2)c([N+](=O)[O-])c(=O)n(C(C)OC)c1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
MITF O75030 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL4769143 1.00 MAPT (0.46) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL4771156 0.89 MAPT (0.39) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL4771171 0.89 MAPT (0.39) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL4769724 0.86 NCOA1 (0.44) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL4769732 0.86 NCOA1 (0.44) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL4766280 0.83 SMN1; SMN2 (0.41) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL4766270 0.83 SMN1; SMN2 (0.41) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL4771114 0.82 MAPT (0.40) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL4771142 0.82 MAPT (0.40) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL4762428 0.79 MAPT (0.39) MAPTALDH1A1MAPK1MEN1KMT2A

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