SCHEMBL7470159

SCHEMBL7470159

NC1CCN(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
LMNA P02545 5/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 3/20 0.38
NPC1 O15118 2/20 0.38
PIK3CA P42336 1/20 0.37
RAB9A P51151 1/20 0.37
PKM P14618 1/20 0.37
EGFR P00533 3/20 0.36
TSHR P16473 3/20 0.36
HPGD P15428 2/20 0.36
CDK1 P06493 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NAE1 Q13564 1/20 0.36
UBA3 Q8TBC4 1/20 0.36
CLK4 Q9HAZ1 8/20 0.35
DYRK1A Q13627 5/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP2D6 P10635 3/20 0.35

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 0.89 HRH4 (0.51) HRH4LMNAMAPTMAPK1NPC1
SCHEMBL7462496 0.88 WDR5 (0.40) HRH4LMNAMAPTMAPK1NPC1
SCHEMBL7469030 0.87 WDR5 (0.44) HRH4LMNAMAPTMAPK1NPC1
SCHEMBL7464425 0.87 HRH4 (0.41) HRH4LMNAMAPTMAPK1NPC1
SCHEMBL7468943 0.86 MAPK1 (0.46) LMNAMAPTMAPK1NPC1RAB9A
SCHEMBL7476400 0.85 MAPT (0.41) HRH4LMNAMAPTMAPK1NPC1
SCHEMBL7470361 0.83 HTT (0.45) HRH4MAPK1PIK3CACDK1HTT
SCHEMBL7470615 0.83 HTT (0.50) HRH4LMNAMAPTMAPK1CDK1
SCHEMBL7470511 0.81 EGFR (0.54) LMNAMAPTMAPK1RAB9AEGFR
SCHEMBL7459991 0.80 LMNA (0.52) HRH4LMNAMAPTMAPK1NPC1

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