SCHEMBL7353267

SCHEMBL7353267

O=[N+]([O-])c1cccc(-c2cc(Cc3ccccc3)cc3ccoc23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 7/20 0.43
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.42
THRB P10828 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
CFD P00746 2/20 0.41
ELANE P08246 1/20 0.40
CFTR P13569 1/20 0.40
F7 P08709 1/20 0.40
F2 P00734 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 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
SCHEMBL7353625 0.90 PDE4A (0.50) PDE4APDE4BNPC1RAB9AALDH1A1
SCHEMBL7933011 0.90 PDE4B (0.67) PDE4APDE4BNPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL7346847 0.89 PDE4B (0.66) PDE4APDE4BNPC1RAB9AALDH1A1
SCHEMBL7355006 0.87 PDE4A (0.50) PDE4APDE4BNPC1RAB9AALDH1A1
SCHEMBL7352210 0.87 PDE4A (0.55) PDE4APDE4BNPC1RAB9AALDH1A1
SCHEMBL7355272 0.85 PDE4A (0.51) PDE4APDE4BNPC1RAB9AALDH1A1
SCHEMBL7361224 0.85 PDE4A (0.53) PDE4APDE4BNPC1RAB9AALDH1A1
SCHEMBL7352127 0.84 PDE4A (0.47) PDE4APDE4BNPC1RAB9AALDH1A1
SCHEMBL7359716 0.83 PDE4B (0.46) PDE4APDE4BNPC1RAB9AALDH1A1
SCHEMBL7353160 0.82 PDE4A (0.44) PDE4APDE4BNPC1RAB9AALDH1A1

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