SCHEMBL3345243

SCHEMBL3345243

Cc1cc([N+](=O)[O-])c(Cl)cc1N1CCN(CC=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HSP90AA1 P07900 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 7/20 0.39
LMNA P02545 5/20 0.39
POLB P06746 3/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ACHE P22303 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
SCHEMBL3345168 0.83 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2L3MBTL1GAAMAPT
SCHEMBL3345950 0.78 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2L3MBTL1GAAMAPT
SCHEMBL3314202 0.77 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2L3MBTL1HSP90AA1GAA
SCHEMBL15994494 0.77 MAPT (0.46) ALDH1A1L3MBTL1MAPTLMNADRD2
SCHEMBL3345724 0.74 MAPT (0.57) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL3349756 0.73 MAPT (0.56) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL5074347 0.72 HPGD (0.42) ALDH1A1L3MBTL1GAAMAPTLMNA
SCHEMBL3345838 0.72 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2L3MBTL1GAAMAPT
SCHEMBL25301580 0.72 MAPT (0.49) ALDH1A1SMN1; SMN2GAAMAPTLMNA
SCHEMBL16095184 0.72 MAPT (0.52) ALDH1A1SMN1; SMN2L3MBTL1HSP90AA1GAA

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-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed