SCHEMBL9795648

SCHEMBL9795648

CCOCCCOc1cccc([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.63
CHRNA4 P43681 2/20 0.63
MAPT P10636 3/20 0.53
HPGD P15428 2/20 0.53
LMNA P02545 2/20 0.52
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
GRM5 P41594 1/20 0.49
MAPK1 P28482 1/20 0.49
RECQL P46063 1/20 0.49
ALDH1A1 P00352 2/20 0.47
LTA4H P09960 1/20 0.47
PTGS2 P35354 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TLR4 O00206 1/20 0.47
TLR2 O60603 1/20 0.47

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
SCHEMBL29547480 0.93 CHRNB2 (0.65) CHRNB2CHRNA4MAPTHPGDLMNA
SCHEMBL17905717 0.86 CHRNB2 (0.68) CHRNB2CHRNA4MAPTHPGDLMNA
SCHEMBL2063354 0.85 CHRNB2 (0.67) CHRNB2CHRNA4MAPTHPGDLMNA
SCHEMBL8461839 0.85 CHRNB2 (0.67) CHRNB2CHRNA4MAPTHPGDLMNA
SCHEMBL1008449 0.85 CHRNB2 (0.58) CHRNB2CHRNA4MAPTLMNACHRNB4
SCHEMBL2374109 0.84 CHRNB2 (0.70) CHRNB2CHRNA4MAPTHPGDLMNA
SCHEMBL1985000 0.84 CHRNB2 (0.65) CHRNB2CHRNA4MAPTLMNACHRNB4
SCHEMBL31037156 0.84 CHRNB2 (0.65) CHRNB2CHRNA4MAPTLMNACHRNB4
SCHEMBL14028449 0.84 CHRNB2 (0.69) CHRNB2CHRNA4MAPTHPGDLMNA
SCHEMBL15498199 0.84 CHRNB2 (0.73) CHRNB2CHRNA4MAPTHPGDLMNA

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
US-5023255-A Triazine derivatives; inhibitors exzyme 5-lipoxygenase GLAXO GROUP LIMITED (GB) 1991-06-11 US disclosed
EP-0388165-A2 Chemical compounds GLAXO GROUP LIMITED (GB) 1990-09-19 EP disclosed