SCHEMBL7261192

SCHEMBL7261192

CC(C)C(=O)Nc1n[nH]c2ncc([N+](=O)[O-])cc12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.41
CDK2 P24941 1/20 0.40
MAPT P10636 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 3/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.38
GLA P06280 2/20 0.38
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CYP1A2 P05177 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.37
ALDH3A1 P30838 1/20 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
SCHEMBL1496236 0.86 CYP1A2 (0.49) ALDH1A1MAPK1CDK2MAPTGAA
SCHEMBL1593232 0.82 ALDH1A1 (0.42) ALDH1A1MAPK1CDK2MAPTMEN1
SCHEMBL1496200 0.80 IDO1 (0.39) ALDH1A1CDK2MEN1KMT2AGAA
SCHEMBL7260400 0.79 MAPK1 (0.44) ALDH1A1MAPK1CDK2LMNAGSK3A
SCHEMBL1496186 0.76 ALDH1A1 (0.39) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL14236122 0.75 IDO1 (0.42) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL1593872 0.74 DYRK1A (0.41) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL1593429 0.74 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL1496182 0.73 MAP3K20 (0.38) ALDH1A1MAPK1MAPTMEN1KMT2A
SCHEMBL29253947 0.72 GSK3A (0.48) MAPK1CDK2GSK3AGSK3B

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
WO-2003068773-A1 PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-08-21 WO disclosed