SCHEMBL8110679

SCHEMBL8110679

O=C(O)c1ncnc([N+](=O)[O-])n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
CASP6 P55212 1/20 0.32
SRD5A2 P31213 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
KMO O15229 1/20 0.31
TP53 P04637 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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 0.79 MAPT (0.33) POLBSMN1; SMN2
SCHEMBL7694318 0.77 TDP1 (0.37) TDP1POLBCASP6SRD5A2PTGS1
SCHEMBL2732652 0.76 KMO (0.39) TDP1TSHRKMOSMN1; SMN2
Ammonia Solution, Strong SCHEMBL4777420 0.74 HCAR2 (0.40) TDP1TSHRKMO
SCHEMBL8101643 0.69 MAPT (0.38) TDP1SMN1; SMN2
SCHEMBL1425910 0.69 PIN1 (0.36) POLBTSHRSMN1; SMN2
SCHEMBL8109492 0.69 KMO (0.35) TDP1TSHRKMO
SCHEMBL17674175 0.68 KDM4E (0.47) TDP1POLBTSHRCASP6SRD5A2
SCHEMBL7695777 0.68 KMO (0.44) TDP1KMO
SCHEMBL8110960 0.67 KMO (0.34) TDP1TSHRKMOSMN1; SMN2

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