SCHEMBL7914966

SCHEMBL7914966

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
PPARG P37231 2/20 0.36
NR1H2 P55055 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
NR1H3 Q13133 2/20 0.36
NR1H4 Q96RI1 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK14 Q16539 1/20 0.35

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
SCHEMBL7916008 0.89 PDE4D (0.52) PDE4DSMN1; SMN2LMNAALDH1A1POLB
SCHEMBL7915385 0.86 STK10 (0.39) SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL8067401 0.79 ALDH1A1 (0.42) PDE4DSMN1; SMN2LMNAALDH1A1POLB
SCHEMBL7920423 0.79 KMT2A (0.40) PDE4DSMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL7914919 0.78 PDE4D (0.53) PDE4DLMNAALDH1A1POLBKMT2A
SCHEMBL7914704 0.78 PDE4D (0.42) PDE4DSMN1; SMN2LMNAALDH1A1POLB
SCHEMBL8057832 0.78 PDE4D (0.49) PDE4DALDH1A1POLBKMT2AMEN1
SCHEMBL8070659 0.78 STK10 (0.38) PDE4DSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL3790847 0.78 PDE4D (0.68) PDE4DLMNAALDH1A1POLBKMT2A
SCHEMBL3785808 0.77 PDE4D (0.52) PDE4DSMN1; SMN2LMNAALDH1A1POLB

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