SCHEMBL7941698

SCHEMBL7941698

CCCCCc1cc(-c2cccc([N+](=O)[O-])c2)c2occc2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
MAOB P27338 4/20 0.39
GCGR P47871 1/20 0.39
MAOA P21397 3/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
FAAH O00519 1/20 0.38
EIF4A1 P60842 1/20 0.38
KCNH2 Q12809 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL7940553 0.82 PDE4B (0.55) ALDH1A1PDE4APDE4BNPC1RAB9A
SCHEMBL7353267 0.81 PDE4A (0.53) ALDH1A1PDE4APDE4BNPC1RAB9A
SCHEMBL7353160 0.80 PDE4A (0.44) ALDH1A1PDE4APDE4BNPC1RAB9A
SCHEMBL7441450 0.79 KCNH2 (0.45) ALDH1A1RAB9AMAPTMAPK1EIF4A1
SCHEMBL7440932 0.78 PDE4A (0.67) ALDH1A1PDE4APDE4BNPC1RAB9A
SCHEMBL7355006 0.78 PDE4A (0.50) ALDH1A1PDE4APDE4BNPC1RAB9A
SCHEMBL7933011 0.78 PDE4B (0.67) ALDH1A1PDE4APDE4BNPC1RAB9A
SCHEMBL7353625 0.78 PDE4A (0.50) ALDH1A1PDE4APDE4BNPC1RAB9A
SCHEMBL7446525 0.78 PDE4A (0.66) ALDH1A1PDE4APDE4BNPC1RAB9A
SCHEMBL7352127 0.77 PDE4A (0.47) ALDH1A1PDE4APDE4BNPC1RAB9A

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