SCHEMBL7944333

SCHEMBL7944333

O=[N+]([O-])c1cccc(-c2cc(CCc3ccncc3)cc(/C=N/O)c2O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.47
PDE4A P27815 1/20 0.47
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
F7 P08709 5/20 0.42
F3 P13726 2/20 0.40
F10 P00742 2/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
PDE4D Q08499 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PELI1 Q96FA3 1/20 0.39
MAPT P10636 3/20 0.39
P2RX7 Q99572 2/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL7349164 1.00 PDE4B (0.47) PDE4BPDE4AALDH1A1POLBF7
SCHEMBL7940588 0.92 PDE4B (0.57) PDE4BPDE4AALDH1A1POLBF7
SCHEMBL7359063 0.92 PDE4B (0.57) PDE4BPDE4AALDH1A1POLBF7
Hydrochloric Acid SCHEMBL7359060 0.91 PDE4B (0.56) PDE4BPDE4AALDH1A1POLBF7
Hydrochloric Acid SCHEMBL7359055 0.91 PDE4B (0.56) PDE4BPDE4AALDH1A1POLBF7
SCHEMBL7357603 0.84 ALDH1A1 (0.42) ALDH1A1POLBF7F3F10
SCHEMBL7357599 0.84 ALDH1A1 (0.42) ALDH1A1POLBF7F3F10
SCHEMBL7381984 0.83 PDE4A (0.47) PDE4BPDE4AALDH1A1POLBF7
SCHEMBL7381987 0.83 PDE4A (0.47) PDE4BPDE4AALDH1A1POLBF7
SCHEMBL7349224 0.82 F7 (0.46) PDE4BPDE4AALDH1A1POLBF7

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-0834508-B1 Substituted biphenyl or phenylpyridine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-08-16 EP 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