SCHEMBL7916008

SCHEMBL7916008

COc1ccc(Cc2ccc(NC(N)=O)cc2)c(F)c1-c1cccc(NO)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.52
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
POLB P06746 2/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 7/20 0.38
SMN1; SMN2 Q16637 7/20 0.38
NPSR1 Q6W5P4 4/20 0.38
HSD17B10 Q99714 4/20 0.38
MAPT P10636 4/20 0.38
HTT P42858 4/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 3/20 0.38
MAPK1 P28482 3/20 0.38
CNR1 P21554 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TP53 P04637 2/20 0.36

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
SCHEMBL7914966 0.89 PDE4D (0.41) PDE4DKMT2AMEN1POLBLMNA
SCHEMBL7914919 0.89 PDE4D (0.53) PDE4DKMT2AMEN1POLBRAB9A
SCHEMBL7914704 0.89 PDE4D (0.42) PDE4DKMT2AMEN1POLBLMNA
SCHEMBL3790847 0.88 PDE4D (0.68) PDE4DKMT2AMEN1POLBRAB9A
SCHEMBL3785808 0.87 PDE4D (0.52) PDE4DKMT2AMEN1POLBRAB9A
SCHEMBL7915385 0.87 STK10 (0.39) KMT2AMEN1SMN1; SMN2HSD17B10MAPT
SCHEMBL4321191 0.86 PDE4D (0.50) PDE4DKMT2AMEN1POLBRAB9A
SCHEMBL8067401 0.82 ALDH1A1 (0.42) PDE4DKMT2AMEN1POLBRAB9A
SCHEMBL8057832 0.81 PDE4D (0.49) PDE4DKMT2AMEN1POLBNPSR1
SCHEMBL3467918 0.79 ALDH1A1 (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