SCHEMBL7464149

SCHEMBL7464149

Cc1ccc(CCNc2ncnc3cc(N4CCNCC4)c([N+](=O)[O-])cc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.44
CDK1 P06493 2/20 0.40
PDE5A O76074 1/20 0.40
GALR3 O60755 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 2/20 0.40
STAT3 P40763 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
WDR5 P61964 1/20 0.40
PIK3CA P42336 1/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 3/20 0.39
HRH4 Q9H3N8 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL7466302 0.92 HTT (0.45) HTR6CDK1PDE5AHTTKMT2A
SCHEMBL7471116 0.91 HTT (0.52) HTR6PDE5AHTTKMT2AMEN1
SCHEMBL7472747 0.91 HTT (0.49) HTR6CDK1PDE5AHTTKMT2A
SCHEMBL7469384 0.91 HTT (0.46) HTR6CDK1PDE5AHTTKMT2A
SCHEMBL7466331 0.91 ALDH1A1 (0.48) HTR6PDE5AHTTKMT2AMEN1
SCHEMBL7466158 0.91 HTR6 (0.55) HTR6HTTMAPK1SMN1; SMN2ALDH1A1
SCHEMBL7471138 0.91 MAPT (0.45) HTR6PDE5AKMT2AMAPK1MEN1
SCHEMBL7473892 0.90 HTR6 (0.45) HTR6CDK1PDE5AHTTKMT2A
SCHEMBL7469367 0.88 MAPT (0.44) HTR6CDK1PDE5AHTTKMT2A
SCHEMBL7466801 0.88 HTT (0.48) HTR6CDK1HTTKMT2AMEN1

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