SCHEMBL7475684

SCHEMBL7475684

O=[N+]([O-])c1ccc(CNc2ncnc3cc(N4CCNCC4)c([N+](=O)[O-])cc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.53
WDR5 P61964 1/20 0.47
KMT2A Q03164 1/20 0.47
HTR6 P50406 3/20 0.44
MET P08581 1/20 0.41
ADRB1 P08588 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTR7 P34969 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL7458928 0.92 EGFR (0.47) EGFRWDR5KMT2AHTR6MAPT
SCHEMBL7466331 0.92 ALDH1A1 (0.48) EGFRWDR5KMT2AHTR6MAPT
SCHEMBL7463091 0.92 USP10 (0.50) EGFRHTR6MAPTALDH1A1GAA
SCHEMBL7465445 0.92 HTR6 (0.55) EGFRWDR5KMT2AHTR6HTT
SCHEMBL7468826 0.91 EGFR (0.56) EGFRHTR6MAPTALDH1A1GAA
SCHEMBL7468699 0.90 PDE5A (0.44) EGFRWDR5KMT2AHTR6MAPT
SCHEMBL7525155 0.89 EGFR (0.48) EGFRKMT2AHTR6METMAPT
SCHEMBL7459198 0.89 MEN1 (0.53) EGFRKMT2AALDH1A1HTTLMNA
SCHEMBL7473662 0.88 USP10 (0.47) EGFRHTR6MAPTALDH1A1GAA
SCHEMBL7470206 0.88 EGFR (0.52) EGFRHTR6MAPTALDH1A1GAA

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