SCHEMBL7007574

SCHEMBL7007574

O=[N+]([O-])c1c[c]c(-c2[c]cccc2[N+](=O)[O-])cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
GPR35 Q9HC97 3/20 0.34
ALDH1A1 P00352 5/20 0.34
TSHR P16473 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
LMNA P02545 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TXNRD1 Q16881 1/20 0.33
TXNRD3 Q86VQ6 1/20 0.33
TXNRD2 Q9NNW7 1/20 0.33
ACHE P22303 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
SCHEMBL7499271 0.82 APP (0.42) TDP1KMT2AMEN1GPR35ALDH1A1
SCHEMBL4375603 0.75 ALDH1A1 (0.53) TDP1KMT2AMEN1GPR35ALDH1A1
SCHEMBL28405351 0.73 TDP1 (0.44) TDP1KMT2AMEN1GPR35ALDH1A1
SCHEMBL14880715 0.72 TSHR (0.48) TDP1KMT2AMEN1ALDH1A1TSHR
SCHEMBL1206907 0.71 ALDH1A1 (0.53) TDP1KMT2AMEN1GPR35ALDH1A1
SCHEMBL9710324 0.71 ALDH1A1 (0.48) TDP1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL10511751 0.71 GPR35 (0.44) TDP1KMT2AMEN1GPR35ALDH1A1
SCHEMBL27636988 0.71 TDP1 (0.41) TDP1KMT2AMEN1GPR35ALDH1A1
SCHEMBL8374 0.69 TDP1 (0.54) TDP1KMT2AMEN1GPR35ALDH1A1
SCHEMBL2193448 0.69 TDP1 (0.45) TDP1KMT2AMEN1GPR35ALDH1A1

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-1364953-A1 TRIAZOLOQUINAZOLINE AND PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES, MEDICINAL COMPOSITIONS, ADENOSINE A3 RECEPTOR AFFINITY AGENTS, OCULAR TENSION LOWERING AGENTS, PREPARATIONS FOR PREVENTING AND TREATING GLAUCOMA AND METHOD OF LOWERING OCULAR TENSION OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2003-11-26 EP disclosed