SCHEMBL10736544

SCHEMBL10736544

Cc1n[nH]cc1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
TDP1 Q9NUW8 4/20 0.47
ABCC8 Q09428 1/20 0.46
KCNJ11 Q14654 1/20 0.46
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 2/20 0.42
GPR35 Q9HC97 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ADORA2B P29275 1/20 0.42
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
CYP3A4 P08684 2/20 0.41
PTPRC P08575 1/20 0.40

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
SCHEMBL5958796 0.79 TDP1 (0.65) MAPTTDP1ABCC8KCNJ11ALDH1A1
SCHEMBL12570849 0.76 TSHR (0.60) MAPTTDP1ALDH1A1SMN1; SMN2TSHR
SCHEMBL10731117 0.74 ABCC8 (0.53) MAPTTDP1ABCC8KCNJ11ALDH1A1
SCHEMBL266568 0.73
SCHEMBL8809569 0.73 MAPT (0.52) MAPTTDP1ABCC8KCNJ11ALDH1A1
SCHEMBL17785663 0.72 TDP1 (0.42) MAPTTDP1ALDH1A1SMN1; SMN2TSHR
SCHEMBL4654523 0.71 GUSB (0.56) TDP1ALDH1A1SMN1; SMN2HPGDMAPK1
SCHEMBL10748570 0.71 PTPRC (0.58) MAPTTDP1ALDH1A1SMN1; SMN2TSHR
SCHEMBL28366256 0.70 ACHE (0.57) MAPTTDP1ALDH1A1SMN1; SMN2TSHR
SCHEMBL27986193 0.70 NPBWR1 (0.55) MAPTTDP1ALDH1A1SMN1; SMN2TSHR

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-0239191-A2 Pyrazolo[4,3-b]pyridine derivatives, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1987-09-30 EP disclosed