SCHEMBL7460925

SCHEMBL7460925

O=[N+]([O-])c1cc2c(NCc3ccc(OCc4ccccc4)cc3)ncnc2cc1N1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.48
HTR6 P50406 2/20 0.47
PRMT5 O14744 2/20 0.45
TLR7 Q9NYK1 1/20 0.45
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
LCK P06239 1/20 0.41
HTR1A P08908 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL7468826 0.92 EGFR (0.56) EGFRHTR6MAPTALDH1A1TDP1
SCHEMBL7470206 0.89 EGFR (0.52) EGFRHTR6MAPTALDH1A1TDP1
SCHEMBL7459198 0.88 MEN1 (0.53) EGFRTLR7ALDH1A1KDM4ELMNA
SCHEMBL7458928 0.87 EGFR (0.47) EGFRHTR6MAPTALDH1A1TDP1
SCHEMBL7475684 0.86 EGFR (0.53) EGFRHTR6MAPTALDH1A1TDP1
SCHEMBL7468699 0.85 PDE5A (0.44) EGFRHTR6MAPTALDH1A1LMNA
SCHEMBL7463091 0.85 USP10 (0.50) EGFRHTR6MAPTALDH1A1LMNA
SCHEMBL7465445 0.85 HTR6 (0.55) EGFRHTR6HTT
SCHEMBL7466331 0.85 ALDH1A1 (0.48) EGFRHTR6MAPTALDH1A1KDM4E
SCHEMBL7463395 0.84 HTT (0.55) EGFRMAPTALDH1A1LMNAHTT

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