SCHEMBL4771171

SCHEMBL4771171

CCCn1c(C=Cc2cnn(C)c2)c([N+](=O)[O-])c(=O)n(C(C)OC)c1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
LMNA P02545 1/20 0.35
MITF O75030 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 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
SCHEMBL4771156 1.00 MAPT (0.39) MAPTSMN1; SMN2POLBNCOA1NCOA3
SCHEMBL4769143 0.89 MAPT (0.46) MAPTSMN1; SMN2POLBNCOA1NCOA3
SCHEMBL4769133 0.89 MAPT (0.46) MAPTSMN1; SMN2POLBNCOA1NCOA3
SCHEMBL4769724 0.88 NCOA1 (0.44) MAPTSMN1; SMN2POLBNCOA1NCOA3
SCHEMBL4769732 0.88 NCOA1 (0.44) MAPTSMN1; SMN2POLBNCOA1NCOA3
SCHEMBL4765284 0.87 NPC1 (0.40) MAPTSMN1; SMN2POLBNCOA1NCOA3
SCHEMBL4765296 0.87 NPC1 (0.40) MAPTSMN1; SMN2POLBNCOA1NCOA3
SCHEMBL4771159 0.83 NCOA1 (0.41) MAPTSMN1; SMN2POLBNCOA1NCOA3
SCHEMBL4767715 0.83 ADORA2B (0.42) MAPTSMN1; SMN2POLBNCOA1NCOA3
SCHEMBL4767702 0.83 ADORA2B (0.42) MAPTSMN1; SMN2POLBNCOA1NCOA3

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