SCHEMBL14775974

SCHEMBL14775974

COc1ccc(Cn2c(=O)c3cc(OCC(F)F)ccc3n(C3CCN(C(=O)I)CC3)c2=O)cc1OCC(N)=O

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 10/20 0.70
PDE7B Q9NP56 5/20 0.56
PDE8A O60658 3/20 0.56
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRL1 P41146 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL100679 0.91 PDE7A (0.86) PDE7APDE7BPDE8AMEN1KMT2A
SCHEMBL30837853 0.91 PDE7A (0.86) PDE7APDE7BPDE8AMEN1KMT2A
SCHEMBL99715 0.89 PDE7A (0.80) PDE7APDE7BPDE8AMEN1KMT2A
SCHEMBL99954 0.86 PDE7A (0.75) PDE7APDE7BPDE8AMEN1KMT2A
SCHEMBL100608 0.83 PDE7A (1.00) PDE7APDE7BPDE8AMEN1KMT2A
SCHEMBL30837886 0.83 PDE7A (1.00) PDE7APDE7BPDE8AMEN1KMT2A
SCHEMBL173167 0.82 PDE7A (0.78) PDE7APDE7BPDE8AMEN1KMT2A
SCHEMBL581953 0.82 PDE7A (0.78) PDE7APDE7BPDE8AMEN1KMT2A
SCHEMBL32681324 0.82 PDE7A (0.78) PDE7APDE7BPDE8AMEN1KMT2A
SCHEMBL100673 0.82 PDE7A (0.91) PDE7APDE7BPDE8AMEN1KMT2A

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-2411009-B1 Therapeutic uses of quinazolinedione derivatives SANOFI SA (FR) 2013-03-20 EP claimed