SCHEMBL6891893

SCHEMBL6891893

O=[N+]([O-])c1ccc2c(c1)C[CH]C2

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PNMT P11086 7/20 0.51
ADRA2A P08913 5/20 0.51
LMNA P02545 2/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
TLR9 Q9NR96 1/20 0.51
TDP2 O95551 1/20 0.49
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
TSHR P16473 2/20 0.46
HSD17B10 Q99714 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL7539847 0.88 PNMT (0.51) PNMTADRA2ALMNAMEN1MAPT
SCHEMBL9483063 0.78 PNMT (0.65) PNMTADRA2ALMNAMEN1MAPT
SCHEMBL30709850 0.78 PNMT (0.65) PNMTADRA2ALMNAMEN1MAPT
SCHEMBL987760 0.77 TLR9 (0.79) PNMTADRA2ALMNAMEN1MAPT
SCHEMBL30049268 0.77 TLR9 (0.79) PNMTADRA2ALMNAMEN1MAPT
Ammonia Solution, Strong SCHEMBL27905491 0.77 LMNA (0.62) PNMTADRA2ALMNAMEN1MAPT
SCHEMBL22898464 0.76 PNMT (0.49) PNMTADRA2ALMNAMEN1MAPT
SCHEMBL1715396 0.75 PNMT (0.61) PNMTADRA2ALMNAMEN1MAPT
SCHEMBL2083495 0.75 PNMT (0.61) PNMTADRA2ALMNAMEN1MAPT
SCHEMBL467557 0.73 PNMT (0.59) PNMTADRA2ALMNAMEN1MAPT

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-2004022554-A1 QUINAZOLINONE DERIVATIVES CELLTECH R & D LIMITED (GB) 2004-03-18 WO disclosed