SCHEMBL7475558

SCHEMBL7475558

CN(c1ccco1)c1ncnc2cc(N3CCCNCC3)c([N+](=O)[O-])cc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPK1 P28482 1/20 0.39
HTR6 P50406 2/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
NCF1 P14598 1/20 0.35
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
MITF O75030 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL7468270 0.97 MAPT (0.40) MAPTGAALMNAALDH1A1SMN1; SMN2
SCHEMBL7464180 0.87 ACHE (0.40) MAPTLMNAALDH1A1SMN1; SMN2MAPK1
SCHEMBL7468284 0.83 MAPT (0.43) MAPTGAALMNAALDH1A1SMN1; SMN2
SCHEMBL7469778 0.80 MAPT (0.45) MAPTGAALMNAALDH1A1SMN1; SMN2
SCHEMBL7475788 0.79 MAPT (0.40) MAPTGAALMNAALDH1A1SMN1; SMN2
SCHEMBL7470183 0.78 MAPT (0.42) MAPTGAALMNAALDH1A1SMN1; SMN2
SCHEMBL7475565 0.77 ALDH1A1 (0.53) MAPTGAALMNAALDH1A1SMN1; SMN2
SCHEMBL7467291 0.77 EGFR (0.44) MAPTLMNAALDH1A1SMN1; SMN2MAPK1
SCHEMBL7469735 0.76 LMNA (0.47) MAPTGAALMNAALDH1A1SMN1; SMN2
SCHEMBL7459038 0.75 MAPT (0.43) MAPTGAALMNAALDH1A1SMN1; SMN2

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-1229025-A1 NOVEL QUINAZOLINE DERIVATIVES Japan Energy Corporation (JP) 2002-08-07 EP disclosed