SCHEMBL1713448

SCHEMBL1713448

CCCCCCn1c(=O)[nH]c2ncccc2c1=O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.75
MAPT P10636 3/20 0.69
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 4/20 0.56
NSD2 O96028 1/20 0.56
CYP1A2 P05177 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
FEN1 P39748 1/20 0.52
POLB P06746 3/20 0.51
PKM P14618 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 2/20 0.51
ADORA3 P0DMS8 1/20 0.50
PDE4A P27815 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA2B P29275 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50

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
SCHEMBL11872109 0.95 MAPT (0.76) HTTMAPTKDM4EALDH1A1NSD2
SCHEMBL1713804 0.93 HTT (0.64) HTTMAPTKDM4EALDH1A1NSD2
SCHEMBL1713392 0.83 FEN1 (0.60) HTTMAPTKDM4EALDH1A1NSD2
SCHEMBL12462461 0.77 HTT (0.47) HTTMAPTKDM4EALDH1A1NSD2
SCHEMBL8652560 0.76 MPO (0.72) MAPTKDM4EALDH1A1CYP1A2SMN1; SMN2
SCHEMBL1713792 0.75 FEN1 (0.66) HTTMAPTKDM4EALDH1A1NSD2
SCHEMBL7014427 0.75 MAPT (0.48) HTTMAPTKDM4EALDH1A1NSD2
SCHEMBL7014430 0.75 MAPT (0.48) HTTMAPTKDM4EALDH1A1NSD2
SCHEMBL7019413 0.74 FEN1 (0.50) HTTMAPTKDM4EALDH1A1NSD2
SCHEMBL7019417 0.74 FEN1 (0.50) HTTMAPTKDM4EALDH1A1NSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8192918-B2 Lithographic printing plate precursor AGFA GRAPHICS NV (BE) 2012-06-05 US disclosed
US-8192918-B2 Lithographic printing plate precursor AGFA GRAPHICS NV (BE) 2012-06-05 US disclosed
EP-1985445-B1 A lithographic printing plate precursor AGFA GRAPHICS NV (BE) 2011-07-20 EP disclosed
US-20100112476-A1 A LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2010-05-06 US disclosed
US-20100112476-A1 A LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2010-05-06 US disclosed
EP-1985445-A1 A lithographic printing plate precursor Agfa Graphics N.V. (BE) 2008-10-29 EP disclosed