SCHEMBL7353160

SCHEMBL7353160

C=CCc1cc(-c2cccc([N+](=O)[O-])c2)c2occc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
MAPT P10636 6/20 0.43
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PDE4B Q07343 1/20 0.42
MAPK1 P28482 1/20 0.41
CFTR P13569 1/20 0.39
ALDH1A1 P00352 4/20 0.39
PELI1 Q96FA3 1/20 0.39
GFER P55789 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
MAOB P27338 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL7353267 0.82 PDE4A (0.53) PDE4AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7933011 0.80 PDE4B (0.67) PDE4APDE4CPDE4DMAPTNPC1
SCHEMBL7940553 0.80 PDE4B (0.55) PDE4APDE4CPDE4DMAPTNPC1
SCHEMBL7941698 0.80 ALDH1A1 (0.47) PDE4AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7353625 0.80 PDE4A (0.50) PDE4AMAPTNPC1RAB9APDE4B
SCHEMBL7355006 0.80 PDE4A (0.50) PDE4APDE4DMAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL7346847 0.79 PDE4B (0.66) PDE4APDE4CPDE4DMAPTNPC1
SCHEMBL7352127 0.79 PDE4A (0.47) PDE4AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7436289 0.77 PDE4A (0.70) PDE4APDE4CPDE4DMAPTNPC1
SCHEMBL7352210 0.77 PDE4A (0.55) PDE4APDE4CPDE4DMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0834508-B1 Substituted biphenyl or phenylpyridine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-08-16 EP disclosed
US-5877190-A PHOSPHODIESTERASE INHIBITOR ADIR ET COMPAGNIE (FR) 1999-03-02 US disclosed
EP-0834508-A1 Substituted biphenyl or phenylpyridine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-04-08 EP disclosed