SCHEMBL7357599

SCHEMBL7357599

CCCCCc1cc(/C=N/O)c(O)c(-c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
POLB P06746 1/20 0.42
F7 P08709 4/20 0.40
PELI1 Q96FA3 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
XBP1 P17861 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOA P21397 5/20 0.38
MAOB P27338 4/20 0.38
F3 P13726 3/20 0.38
F10 P00742 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
EIF4A1 P60842 1/20 0.38
HTT P42858 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
SCHEMBL7357603 1.00 ALDH1A1 (0.42) ALDH1A1POLBF7PELI1NPSR1
SCHEMBL7350227 0.89 PELI1 (0.41) ALDH1A1F7PELI1NPSR1SMN1; SMN2
SCHEMBL7944333 0.84 PDE4B (0.47) ALDH1A1POLBF7PELI1NPSR1
SCHEMBL7349164 0.84 PDE4B (0.47) ALDH1A1POLBF7PELI1NPSR1
SCHEMBL7349221 0.82 F7 (0.46) ALDH1A1POLBF7PELI1NPSR1
SCHEMBL7349224 0.82 F7 (0.46) ALDH1A1POLBF7PELI1NPSR1
SCHEMBL7940588 0.80 PDE4B (0.57) ALDH1A1POLBF7PELI1NPSR1
SCHEMBL7359063 0.80 PDE4B (0.57) ALDH1A1POLBF7PELI1NPSR1
SCHEMBL7357593 0.80 PDE4A (0.42) ALDH1A1POLBF7PELI1SMN1; SMN2
SCHEMBL7357600 0.80 PDE4A (0.42) ALDH1A1POLBF7PELI1SMN1; SMN2

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