SCHEMBL7361593

SCHEMBL7361593

O=c1c2ncccc2c(-c2cccc(Cl)c2)nn1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.53
GAA P10253 4/20 0.53
PDE4A P27815 4/20 0.53
PDE4C Q08493 3/20 0.53
PDE4D Q08499 3/20 0.53
PDE4B Q07343 2/20 0.53
PDE3B Q13370 1/20 0.53
PDE3A Q14432 1/20 0.53
ALDH1A1 P00352 5/20 0.50
LMNA P02545 4/20 0.50
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 3/20 0.47
HTT P42858 3/20 0.47
KDM4E B2RXH2 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2D6 P10635 1/20 0.47
USP2 O75604 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL7359405 0.91 PDE4A (0.61) NPSR1GAAPDE4APDE4CPDE4D
SCHEMBL7368041 0.86 NPSR1 (0.50) NPSR1GAAPDE4APDE4CPDE4D
SCHEMBL7359895 0.83 PDE4A (0.53) NPSR1GAAPDE4APDE4CPDE4D
SCHEMBL7361659 0.82 PDE4D (0.55) NPSR1PDE4APDE4CPDE4DPDE4B
SCHEMBL7363442 0.81 PDE4A (0.71) NPSR1PDE4APDE4CPDE4DPDE4B
SCHEMBL9169841 0.81 PDE4A (0.58) NPSR1GAAPDE4APDE4CPDE4D
SCHEMBL7370126 0.79 GRM5 (0.48) NPSR1PDE4APDE4CPDE4DPDE4B
SCHEMBL7363896 0.79 L3MBTL1 (0.58) NPSR1GAAPDE4APDE4CPDE4D
SCHEMBL7360186 0.79 PDE4A (0.61) NPSR1PDE4APDE4CPDE4DPDE4B
SCHEMBL7370208 0.79 PDE4A (0.53) PDE4APDE4CPDE4DPDE4BPDE3B

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-0612321-B1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX INC (US) 1999-08-25 EP disclosed
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