SCHEMBL1713804

SCHEMBL1713804

O=c1[nH]c2ncccc2c(=O)n1CCCCCCn1c(=O)[nH]c2ncccc2c1=O

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.64
MAPT P10636 1/20 0.61
FEN1 P39748 1/20 0.59
CYP1A2 P05177 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 3/20 0.55
NSD2 O96028 1/20 0.55
POLB P06746 1/20 0.53
PKM P14618 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 1/20 0.50
MPO P05164 1/20 0.49
AURKA O14965 1/20 0.49
PARP1 P09874 1/20 0.49

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
SCHEMBL1713448 0.93 HTT (0.75) HTTMAPTFEN1CYP1A2CYP2C9
SCHEMBL11872109 0.90 MAPT (0.76) HTTMAPTFEN1CYP1A2CYP2C9
SCHEMBL1713392 0.83 FEN1 (0.60) HTTMAPTFEN1CYP1A2CYP2C9
SCHEMBL12462461 0.82 HTT (0.47) HTTMAPTFEN1CYP1A2CYP2C9
SCHEMBL7019413 0.80 FEN1 (0.50) HTTMAPTFEN1CYP1A2CYP2C9
SCHEMBL7019417 0.80 FEN1 (0.50) HTTMAPTFEN1CYP1A2CYP2C9
SCHEMBL4316407 0.79 FEN1 (0.60) HTTMAPTFEN1CYP1A2CYP2C9
SCHEMBL7014430 0.78 MAPT (0.48) HTTMAPTFEN1CYP1A2CYP2C9
SCHEMBL7014427 0.78 MAPT (0.48) HTTMAPTFEN1CYP1A2CYP2C9
SCHEMBL1713792 0.78 FEN1 (0.66) HTTMAPTFEN1CYP1A2CYP2C9

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 9 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
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
US-20100112476-A1 A LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2010-05-06 US disclosed
WO-2008132091-A1 A LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2008-11-06 WO disclosed
EP-1985445-A1 A lithographic printing plate precursor Agfa Graphics N.V. (BE) 2008-10-29 EP disclosed