SCHEMBL7464189

SCHEMBL7464189

CN1CCN(c2cc3ncnc(NCc4ccco4)c3cc2[N+](=O)[O-])CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
HTR6 P50406 2/20 0.56
MAPK1 P28482 4/20 0.52
HRH4 Q9H3N8 4/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
LMNA P02545 5/20 0.49
ALDH1A1 P00352 5/20 0.49
HTT P42858 4/20 0.49
HPGD P15428 3/20 0.49
TSHR P16473 2/20 0.49
NOD2 Q9HC29 1/20 0.49
RAB9A P51151 1/20 0.47
HIF1A Q16665 1/20 0.47
CLK1 P49759 1/20 0.45
CLK2 P49760 1/20 0.45
CLK3 P49761 1/20 0.45
DYRK1A Q13627 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL7468278 0.89 ALDH1A1 (0.56) MAPTHTR6MAPK1SMN1; SMN2LMNA
SCHEMBL7475565 0.86 ALDH1A1 (0.53) MAPTHTR6MAPK1SMN1; SMN2LMNA
SCHEMBL7469571 0.85 EGFR (0.56) MAPTHRH4SMN1; SMN2LMNAALDH1A1
SCHEMBL7459991 0.85 LMNA (0.52) MAPTMAPK1HRH4LMNAALDH1A1
SCHEMBL7473166 0.82 HTR6 (0.55) MAPTHTR6HRH4SMN1; SMN2LMNA
SCHEMBL7470773 0.80 PDE5A (0.59) SMN1; SMN2ALDH1A1CLK4
SCHEMBL7465055 0.80 HTR6 (0.55) MAPTHTR6MAPK1HRH4SMN1; SMN2
SCHEMBL7467287 0.80 SMN1; SMN2 (0.62) MAPTMAPK1SMN1; SMN2LMNAALDH1A1
SCHEMBL7476281 0.80 HRH4 (0.51) MAPTHTR6MAPK1HRH4SMN1; SMN2
SCHEMBL7474097 0.77 HRH4 (0.56) HTR6HRH4HTTEIF2AK2

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