SCHEMBL5801672

SCHEMBL5801672

Cc1cc(=O)n(Cc2ccc([N+](=O)[O-])cc2)c(=O)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.59
DHFR P00374 1/20 0.51
TYMS P04818 1/20 0.51
KMT2A Q03164 6/20 0.50
MEN1 O00255 4/20 0.50
NPSR1 Q6W5P4 1/20 0.50
AR P10275 1/20 0.49
POLB P06746 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
P2RX4 Q99571 1/20 0.48
SRC P12931 1/20 0.46
PRKACA P17612 1/20 0.46
PRKACG P22612 1/20 0.46
PRKACB P22694 1/20 0.46
NOX4 Q9NPH5 1/20 0.46
LMNA P02545 1/20 0.45
ATM Q13315 1/20 0.44
PGR P06401 1/20 0.44
PIK3R1 P27986 1/20 0.44
PIK3CA P42336 1/20 0.44

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
SCHEMBL6243233 0.80 KMT2A (0.55) KMT2AMEN1POLBATM
SCHEMBL4764015 0.79 KMT2A (0.69) L3MBTL1KMT2AMEN1
SCHEMBL4483468 0.78 L3MBTL1 (0.60) L3MBTL1DHFRTYMSKMT2AMEN1
SCHEMBL4762572 0.78 ALDH1A1 (0.63) TYMSKMT2AMEN1NPSR1P2RX4
SCHEMBL5797218 0.77 DHFR (0.48) L3MBTL1DHFRTYMSKMT2AMEN1
SCHEMBL4864080 0.76 TYMS (0.48) TYMSKMT2AMEN1POLB
SCHEMBL9977536 0.73 LMNA (0.68) KMT2AMEN1POLBTDP1P2RX4
SCHEMBL4765196 0.72 KMT2A (0.42) KMT2AMEN1POLBATM
SCHEMBL7655100 0.71 KDM4E (0.65) L3MBTL1KMT2AMEN1NPSR1LMNA
SCHEMBL7650431 0.71 KDM4E (0.65) KMT2AMEN1

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