SCHEMBL4627799

SCHEMBL4627799

COC(=O)c1ccc(CCO)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 3/20 0.49
CYP4F2 P78329 2/20 0.49
TSHR P16473 2/20 0.45
PDGFRB P09619 1/20 0.45
FGFR1 P11362 1/20 0.45
PDGFRA P16234 1/20 0.45
FLT1 P17948 1/20 0.45
FGFR3 P22607 1/20 0.45
KDR P35968 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
SIRT6 Q8N6T7 1/20 0.42
HPGD P15428 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL590781 0.88 TTR (0.47) TSHRPDGFRBFGFR1PDGFRAFLT1
SCHEMBL14428114 0.87 PDGFRB (0.44) TSHRPDGFRBFGFR1PDGFRAFLT1
SCHEMBL27696794 0.87 PDGFRB (0.44) TSHRPDGFRBFGFR1PDGFRAFLT1
SCHEMBL4627839 0.87 PDGFRB (0.44) TSHRPDGFRBFGFR1PDGFRAFLT1
SCHEMBL13634220 0.87 ALDH1A1 (0.48) TSHRPDGFRBFGFR1PDGFRAFLT1
SCHEMBL23507219 0.86 PPARA (0.45) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL6204581 0.85 SMN1; SMN2 (0.44) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL14428360 0.84 PDGFRB (0.44) TSHRPDGFRBFGFR1PDGFRAFLT1
SCHEMBL2277745 0.84 PDGFRB (0.46) CYP4A11CYP4F2TSHRPDGFRBFGFR1
SCHEMBL2771843 0.84 PDGFRB (0.46) TSHRPDGFRBFGFR1PDGFRAFLT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1871749-A1 1H-QUINAZ0LINE-2,4-DIONES AND THEIR USE AS AMPA-RECEPTOR LIGANDS Novartis AG (US) 2008-01-02 EP disclosed
WO-2006108591-A1 1H-QUINAZ0LINE-2,4-DIONES AND THEIR USE AS AMPA-RECEPTOR LIGANDS NOVARTIS AG (CH) 2006-10-19 WO disclosed