SCHEMBL7367868

SCHEMBL7367868

CCn1nc(-c2ccc(Cl)c([N+](=O)[O-])c2)c2ncccc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.55
PDE4B Q07343 2/20 0.55
PDE4C Q08493 2/20 0.55
PDE4D Q08499 2/20 0.55
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
MAPT P10636 5/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
KDM4E B2RXH2 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
PKM P14618 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
HSP90AA1 P07900 1/20 0.43
OPRK1 P41145 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL9382135 0.90 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7368635 0.88 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7365402 0.87 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL9379618 0.86 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7367014 0.85 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7369609 0.84 ALDH1A1 (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7359713 0.82 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7369477 0.82 MEN1 (0.63) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7367215 0.80 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7363454 0.79 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DPDE3B

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-0612321-A1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1994-08-31 EP disclosed
WO-1993007146-A1 BENZO AND PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1993-04-15 WO disclosed