SCHEMBL5780973

SCHEMBL5780973

COc1ccc(Cn2c(=O)c([N+](=O)[O-])c(-c3c[nH]nc3C)n(Cc3ccoc3)c2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 3/20 0.40
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GABRA5 P31644 1/20 0.35
THRB P10828 1/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL4762307 0.83 DCTPP1 (0.44) DCTPP1NPC1RAB9AL3MBTL1MEN1
SCHEMBL4868188 0.79 DCTPP1 (0.38) DCTPP1NPC1RAB9AL3MBTL1MEN1
SCHEMBL4865551 0.76 ADORA3 (0.39) DCTPP1L3MBTL1MEN1POLBKMT2A
SCHEMBL4770686 0.73 DCTPP1 (0.51) DCTPP1NPC1RAB9AMEN1KMT2A
SCHEMBL4767339 0.73 HSPD1 (0.40) DCTPP1NPC1RAB9AL3MBTL1MEN1
SCHEMBL4867838 0.73 ADORA2B (0.40) DCTPP1ADORA3MAPTSMN1; SMN2GABRA5
SCHEMBL4763895 0.72 MAPT (0.45) DCTPP1L3MBTL1MEN1USP2POLB
SCHEMBL4763887 0.72 MAPT (0.45) DCTPP1L3MBTL1MEN1USP2POLB
SCHEMBL4894064 0.71 ADORA2B (0.42) DCTPP1ADORA3GABRA5TDP1
SCHEMBL4766012 0.71 PDE4A (0.38) DCTPP1L3MBTL1MEN1POLBKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678181-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-07-12 EP disclosed
WO-2005042534-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2005-05-12 WO disclosed