SCHEMBL4771433

SCHEMBL4771433

COC(C)n1c(C=Cc2cnn(Cc3ccccc3F)c2)c([N+](=O)[O-])c(=O)n(C(C)OC)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
ALDH1A1 P00352 4/20 0.38
PKM P14618 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
GAA P10253 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
LMNA P02545 2/20 0.34
PKLR P30613 1/20 0.34
MITF O75030 1/20 0.33

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
SCHEMBL4771422 1.00 MAPT (0.38) MAPTALDH1A1PKML3MBTL1MAPK1
SCHEMBL4767715 0.91 ADORA2B (0.42) MAPTALDH1A1PKML3MBTL1MAPK1
SCHEMBL4767702 0.91 ADORA2B (0.42) MAPTALDH1A1PKML3MBTL1MAPK1
SCHEMBL4763386 0.89 ADORA2A (0.38) MAPTALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL4763383 0.89 ADORA2A (0.38) MAPTALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL4763212 0.89 ADORA2B (0.40) MAPTALDH1A1PKML3MBTL1MAPK1
SCHEMBL4763210 0.89 ADORA2B (0.40) MAPTALDH1A1PKML3MBTL1MAPK1
SCHEMBL4765703 0.88 MAPT (0.36) MAPTALDH1A1PKML3MBTL1MAPK1
SCHEMBL4765715 0.88 MAPT (0.36) MAPTALDH1A1PKML3MBTL1MAPK1
SCHEMBL4764062 0.85 MAPT (0.37) MAPTALDH1A1PKML3MBTL1MAPK1

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