SCHEMBL5287550

SCHEMBL5287550

Nc1nc(-c2cc(C3CC3)[nH]n2)ncc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.43
HCAR3 P49019 1/20 0.43
IGF1R P08069 2/20 0.42
MAPT P10636 9/20 0.41
LMNA P02545 5/20 0.41
NPSR1 Q6W5P4 3/20 0.41
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
POLB P06746 1/20 0.41
HTT P42858 7/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
GAA P10253 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
NTRK1 P04629 1/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MKNK1 Q9BUB5 2/20 0.37

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
SCHEMBL27964125 0.79 HCAR2 (0.49) HCAR2HCAR3IGF1RMAPTLMNA
SCHEMBL27983388 0.78 HCAR2 (0.48) HCAR2HCAR3IGF1RMAPTLMNA
SCHEMBL28820147 0.74 HCAR2 (0.49) HCAR2HCAR3IGF1RMAPTLMNA
SCHEMBL28644322 0.72 MAPT (0.43) HCAR2HCAR3IGF1RMAPTLMNA
SCHEMBL6916834 0.71 NEK1 (0.47) HCAR2HCAR3IGF1RNTRK1MKNK1
SCHEMBL30558789 0.70 MKNK1 (0.54) HCAR2HCAR3MAPTLMNANPSR1
SCHEMBL27977175 0.70 MKNK1 (0.54) HCAR2HCAR3MAPTLMNANPSR1
SCHEMBL25339487 0.69 MAPT (0.45) HCAR2HCAR3IGF1RMAPTLMNA
SCHEMBL1164246 0.69 IGF1R (0.63) IGF1RNTRK1
SCHEMBL29088892 0.68 IGF1R (0.42) IGF1RMAPTLMNANPSR1ALDH1A1

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
EP-1853588-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2007-11-14 EP disclosed
WO-2006087530-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2006-08-24 WO disclosed