SCHEMBL4326546

SCHEMBL4326546

CS(=O)(=O)Nc1ccc2oc3c(OC(F)F)ccc(C(=O)N4CCc5cnccc54)c3c2c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 3/20 0.59
▸ PDE4B Q07343 6/20 0.48
▸ PDE4A P27815 2/20 0.41
▸ PDE4C Q08493 2/20 0.41
▸ CYP17A1 P05093 1/20 0.33
▸ ROCK2 O75116 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TRIM24 O15164 7/20 0.32
▸ NR3C1 P04150 1/20 0.32
▸ SOS1 Q07889 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ HTR2B P41595 1/20 0.31

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
SCHEMBL4326551 0.91 PDE4D (0.47) PDE4DPDE4BCYP17A1SMN1; SMN2TRIM24
SCHEMBL4326737 0.83 PDE4B (0.44) PDE4DPDE4BPDE4APDE4CSMN1; SMN2
SCHEMBL3306175 0.78 PDE4D (0.69) PDE4DPDE4BPDE4APDE4CSMN1; SMN2
SCHEMBL4335222 0.76 SMN1; SMN2 (0.39) CYP17A1SMN1; SMN2TRIM24NR3C1HTR2C
Oglemilast SCHEMBL29413215 0.74 PDE4D (1.00) PDE4DPDE4BPDE4APDE4C
Oglemilast SCHEMBL220245 0.74 PDE4D (1.00) PDE4DPDE4BPDE4APDE4C
Oglemilast SCHEMBL29369504 0.74 PDE4D (1.00) PDE4DPDE4BPDE4APDE4C
Oglemilast SCHEMBL4030005 0.74 PDE4D (0.98) PDE4DPDE4BPDE4APDE4C
SCHEMBL4326731 0.74 HTR2C (0.40) SMN1; SMN2HTR2C
Oglemilast SCHEMBL4030019 0.74 PDE4D (0.98) PDE4DPDE4BPDE4APDE4C

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
WO-2009147476-A1 NOVEL PDE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION MATRIX LABORATORIES LTD. (IN) 2009-12-10 — — WO claimed
WO-2009147476-A1 NOVEL PDE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION MATRIX LABORATORIES LTD. (IN) 2009-12-10 — — WO disclosed
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