SCHEMBL8069986

SCHEMBL8069986

COc1ccc(Cn2cnc(CO)c2)cc1-c1cccc(NO)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 5/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ CTSA P10619 3/20 0.37
▸ DRD2 P14416 1/20 0.34
▸ DRD4 P21917 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ KARS1 Q15046 1/20 0.34
▸ FNTA P49354 1/20 0.34
▸ FNTB P49356 1/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ FFAR1 O14842 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8053509 0.84 GRM2 (0.46) PDE4BALDH1A1PKMHSP90AA1PDE4D
SCHEMBL3809328 0.82 ALDH1A1 (0.52) PDE4BALDH1A1PKMPDE4DSMN1; SMN2
SCHEMBL8064712 0.79 PDE4B (0.45) PDE4BPDE4DCTSAFNTAFNTB
SCHEMBL7904659 0.76 CYP19A1 (0.47) PDE4B
SCHEMBL8064800 0.75 HTT (0.52) PDE4BALDH1A1PDE4D
SCHEMBL8067030 0.74 PDE4D (0.49) PDE4BALDH1A1PDE4DFFAR1SMN1; SMN2
SCHEMBL8014205 0.74 PDE4B (0.46) PDE4BALDH1A1PDE4DCTSAFFAR1
SCHEMBL8066867 0.74 PDE4B (0.46) PDE4BALDH1A1PDE4DCTSAFFAR1
SCHEMBL8068535 0.74 HDAC7 (0.49) PDE4BALDH1A1PDE4DGRM2
SCHEMBL8066070 0.74 HTT (0.57) —

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-2009067600-A2 BIARYL PDE4 INHIBITORS FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2009-05-28 — — WO disclosed
Send feedback