SCHEMBL5808696

SCHEMBL5808696

Cc1c(I)c(=O)n(Cc2ccc([N+](=O)[O-])cc2)c(=O)n1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
P2RX4 Q99571 1/20 0.47
LMNA P02545 3/20 0.46
AR P10275 3/20 0.45
SRC P12931 1/20 0.45
PRKACA P17612 1/20 0.45
PRKACG P22612 1/20 0.45
PRKACB P22694 1/20 0.45
NOX4 Q9NPH5 1/20 0.45
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PDE5A O76074 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL4483468 0.74 L3MBTL1 (0.60) KMT2AMEN1L3MBTL1P2RX4LMNA
SCHEMBL4875253 0.73 KMT2A (0.71) KMT2AMEN1P2RX4LMNASRC
SCHEMBL4770686 0.73 DCTPP1 (0.51) KMT2AMEN1P2RX4ALDH1A1
SCHEMBL4766006 0.72 PDE4A (0.44) KMT2AMEN1L3MBTL1LMNAPOLB
SCHEMBL4767325 0.72 P2RX3 (0.54) KMT2AMEN1ALDH1A1
SCHEMBL29416563 0.69 KMT2A (0.50) KMT2AMEN1L3MBTL1P2RX4LMNA
SCHEMBL4473737 0.69 P2RX4 (0.47) KMT2AMEN1L3MBTL1P2RX4LMNA
SCHEMBL4171496 0.69 P2RX4 (0.50) KMT2AMEN1L3MBTL1P2RX4LMNA
SCHEMBL6510739 0.69 KMT2A (0.72) KMT2AMEN1P2RX4LMNASRC
SCHEMBL11423863 0.69 KDM4E (0.53) KMT2AMEN1L3MBTL1P2RX4LMNA

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
WO-2006070292-A2 PYRIMIDINE COMPOUNDS AS ANTI-ICTOGENIC AND/OR ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (US) 2006-07-06 WO disclosed