SCHEMBL7440230

SCHEMBL7440230

O=[N+]([O-])c1cccc(-c2cc(Cc3ncc[nH]3)cc3cccnc23)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 12/20 0.71
PDE4B Q07343 5/20 0.71
PDE4D Q08499 13/20 0.49
TOP1 P11387 1/20 0.49
PDE4C Q08493 8/20 0.48
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
MET P08581 1/20 0.42
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
CASP6 P55212 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL7439997 0.86 PDE4A (0.71) PDE4APDE4BPDE4DTOP1PDE4C
Hydrochloric Acid SCHEMBL7440538 0.85 PDE4A (0.70) PDE4APDE4BPDE4DTOP1PDE4C
SCHEMBL7435677 0.84 PDE4A (0.85) PDE4APDE4BPDE4DTOP1PDE4C
SCHEMBL3698956 0.83 PDE4A (1.00) PDE4APDE4BPDE4DTOP1PDE4C
SCHEMBL29367114 0.83 PDE4A (1.00) PDE4APDE4BPDE4DTOP1PDE4C
SCHEMBL7357446 0.83 PDE4A (0.48) PDE4APDE4BPDE4DTOP1BCHE
SCHEMBL7436409 0.82 PDE4A (0.53) PDE4APDE4BPDE4DPDE4C
SCHEMBL7444919 0.82 PDE4A (0.71) PDE4APDE4BPDE4DTOP1PDE4C
SCHEMBL7441893 0.82 PDE4A (0.74) PDE4APDE4BPDE4DTOP1PDE4C
SCHEMBL7450694 0.82 PDE4A (0.74) PDE4APDE4BPDE4DTOP1PDE4C

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-0691966-B1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX INC (US) 1998-09-09 EP disclosed
EP-0691966-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1996-01-17 EP disclosed
WO-1994022852-A1 QUINOLINES AS TYPE IV PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1994-10-13 WO disclosed