SCHEMBL7704337

SCHEMBL7704337

COc1cc2c(cc1OC)[C@@H]1CCCC[C@@H]1N=C2c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.77
LMNA P02545 4/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
ATM Q13315 1/20 0.44
GHSR Q92847 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NR2F2 P24468 1/20 0.42
NOD2 Q9HC29 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 1/20 0.41
PDE4B Q07343 2/20 0.41
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
HSPD1 P10809 1/20 0.40

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
SCHEMBL7704339 1.00 PDE4D (0.77) PDE4DLMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL7704344 1.00 PDE4D (0.77) PDE4DLMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL5058868 0.88 PDE4D (0.72) PDE4DLMNAALDH1A1MAPTSMN1; SMN2
Tolafentrine SCHEMBL29992625 0.87 PDE4D (1.00) PDE4DLMNAALDH1A1MAPTSMN1; SMN2
Tolafentrine SCHEMBL8326829 0.87 PDE4D (1.00) PDE4DLMNAALDH1A1MAPTSMN1; SMN2
Tolafentrine SCHEMBL159331 0.87 PDE4D (1.00) PDE4DLMNAALDH1A1MAPTSMN1; SMN2
Tolafentrine SCHEMBL4450984 0.87 PDE4D (1.00) PDE4DLMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL5036841 0.83 PDE4D (0.53) PDE4DPDE4BPDE4APDE4C
SCHEMBL5036837 0.83 PDE4D (0.53) PDE4DPDE4BPDE4APDE4C
SCHEMBL5064551 0.83 PDE4D (0.65) PDE4DLMNAALDH1A1MAPTSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000035-B1 SUBSTITUTED 6-PHENYLPHENANTHRIDINES ALTANA PHARMA AG (DE) 2002-11-27 EP disclosed
US-6121279-A PHOSPHODIESTERASE INHIBITOR FOR TREATING RESPIRATORY SYSTEM DISORDERS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-09-19 US disclosed