SCHEMBL7349748

SCHEMBL7349748

Cn1cnc(Cc2cc(-c3cccc([N+](=O)[O-])c3)c3occc3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.45
PDE4A P27815 1/20 0.45
ALDH1A1 P00352 3/20 0.40
PDE4D Q08499 3/20 0.38
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
MAPT P10636 5/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MET P08581 1/20 0.36
MAOB P27338 1/20 0.35
GRM5 P41594 1/20 0.35
PKM P14618 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35

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
SCHEMBL7361224 0.82 PDE4A (0.53) PDE4BPDE4AALDH1A1PDE4DNPC1
SCHEMBL7349771 0.81 PDE4B (0.45) PDE4BPDE4AALDH1A1PDE4DNPC1
SCHEMBL7354684 0.81 PDE4A (0.47) PDE4BPDE4AALDH1A1PDE4DNPC1
SCHEMBL7353892 0.80 PDE4B (0.46) PDE4BPDE4AALDH1A1PDE4DNPC1
SCHEMBL7357039 0.80 PDE4B (0.51) PDE4BPDE4AALDH1A1PDE4DNPC1
SCHEMBL7349559 0.79 PDE4B (0.45) PDE4BPDE4AALDH1A1PDE4DNPC1
SCHEMBL7353267 0.79 PDE4A (0.53) PDE4BPDE4AALDH1A1NPC1RAB9A
SCHEMBL7355006 0.79 PDE4A (0.50) PDE4BPDE4AALDH1A1PDE4DNPC1
SCHEMBL7933011 0.79 PDE4B (0.67) PDE4BPDE4AALDH1A1PDE4DNPC1
SCHEMBL7359716 0.78 PDE4B (0.46) PDE4BPDE4AALDH1A1PDE4DNPC1

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