SCHEMBL7914919

SCHEMBL7914919

COc1ccc(Cc2ccc(NC(N)=O)cc2)c(F)c1-c1cccc(N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.53
ABCB1 P08183 2/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.40
RAB9A P51151 2/20 0.40
HDAC1 Q13547 2/20 0.39
CNR1 P21554 1/20 0.38
LMNA P02545 1/20 0.38
NR1H4 Q96RI1 1/20 0.37
NOX4 Q9NPH5 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
EPHX2 P34913 1/20 0.37
MTNR1A P48039 1/20 0.37

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
SCHEMBL3790847 0.89 PDE4D (0.68) PDE4DKMT2AMEN1POLBRAB9A
SCHEMBL7916008 0.89 PDE4D (0.52) PDE4DKMT2AMEN1POLBRAB9A
SCHEMBL3785808 0.88 PDE4D (0.52) PDE4DKMT2AMEN1POLBRAB9A
SCHEMBL4321191 0.87 PDE4D (0.50) PDE4DKMT2AMEN1POLBRAB9A
SCHEMBL8072156 0.80 GRM2 (0.42) PDE4DLMNA
SCHEMBL3467918 0.80 ALDH1A1 (0.43) PDE4DABCB1KMT2AMEN1POLB
SCHEMBL8072151 0.80 CD274 (0.37) RAB9AMAPTNPC1
SCHEMBL10440594 0.80 PDE4D (0.61) PDE4DKMT2AMEN1POLBRAB9A
SCHEMBL8024453 0.79 ALDH1A1 (0.43) PDE4DKMT2AMEN1POLBRAB9A
SCHEMBL4323623 0.79 PDE4D (0.43) PDE4DKMT2AMEN1POLBRAB9A

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
WO-2010059838-A2 PDE4 INHIBITORS SELECTIVE FOR THE LONG FORM OF PDE4 FOR TREATING INFLAMMATION AND AVOIDING SIDE EFFECTS DECODE GENETICS EHF (IS) 2010-05-27 WO disclosed