SCHEMBL8101643

SCHEMBL8101643

Nc1ncnc([N+](=O)[O-])n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
LMNA P02545 4/20 0.38
HTT P42858 3/20 0.38
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ROCK1 Q13464 2/20 0.37
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MITF O75030 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DHFR P00374 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CLK1 P49759 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BCL6 P41182 1/20 0.32

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
SCHEMBL1193558 0.84 MAPT (0.33) MAPTLMNAHTTALDH1A1HPGD
SCHEMBL1425910 0.74 PIN1 (0.36) MAPTLMNAHTTALDH1A1KDM4E
SCHEMBL7694321 0.74 LMNA (0.35) MAPTLMNAHTTALDH1A1TDP1
SCHEMBL65511 0.69
SCHEMBL3826741 0.68 ROCK1 (0.39) MAPTLMNAALDH1A1ROCK1HPGD
SCHEMBL9197442 0.68 ALDH1A1 (0.38) MAPTLMNAALDH1A1RAB9ATDP1
SCHEMBL9562215 0.67 HSP90AA1 (0.50) LMNAHTTRAB9AALOX15KDM4E
Hydrochloric Acid SCHEMBL15477068 0.67
Water SCHEMBL6396886 0.67 HSP90AA1 (0.50) MAPTLMNAHTTRAB9AKDM4E
SCHEMBL27452342 0.67 POLB (0.38) MAPTLMNAHTTALDH1A1MITF

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
EP-1008383-A1 LIPOPROTEIN ADSORBENT AND LIPOPROTEIN ADSORBER MADE WITH THE USE OF THE SAME KANEKA CORPORATION (JP) 2000-06-14 EP disclosed