SCHEMBL7464425

SCHEMBL7464425

O=CN1CCN(c2cc3ncnc(NCCc4cccs4)c3cc2[N+](=O)[O-])CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 6/20 0.38
MAPK1 P28482 4/20 0.38
MAPT P10636 3/20 0.38
PIK3CA P42336 1/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
PKM P14618 1/20 0.37
CLK4 Q9HAZ1 9/20 0.36
DYRK1A Q13627 5/20 0.36
TSHR P16473 4/20 0.36
EGFR P00533 3/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2C19 P33261 5/20 0.36
CYP2D6 P10635 4/20 0.36
ALDH1A1 P00352 4/20 0.36

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
SCHEMBL7476281 0.91 HRH4 (0.51) HRH4NPC1LMNAMAPK1MAPT
SCHEMBL7469030 0.89 WDR5 (0.44) HRH4NPC1LMNAMAPK1MAPT
SCHEMBL7462496 0.88 WDR5 (0.40) HRH4NPC1RAB9ALMNAMAPK1
SCHEMBL7458966 0.87 MAPK1 (0.47) HRH4NPC1RAB9ALMNAMAPK1
SCHEMBL7470159 0.87 HRH4 (0.41) HRH4NPC1RAB9ALMNAMAPK1
SCHEMBL7476400 0.85 MAPT (0.41) HRH4NPC1LMNAMAPK1MAPT
SCHEMBL7470693 0.83 HTT (0.45) HRH4NPC1RAB9ALMNAMAPK1
SCHEMBL7470593 0.83 HTT (0.50) HRH4MAPK1MAPTHTTMEN1
SCHEMBL7459991 0.82 LMNA (0.52) HRH4NPC1LMNAMAPK1MAPT
SCHEMBL7475664 0.82 EGFR (0.55) RAB9ALMNAMAPK1MAPTTSHR

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