SCHEMBL9183643

SCHEMBL9183643

FC(F)Oc1ccc(-c2ccc(Cl)nn2)cc1OCC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 13/20 0.39
PDE4B Q07343 3/20 0.39
PDE4A P27815 3/20 0.39
PDE4C Q08493 2/20 0.39
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AAK1 Q2M2I8 3/20 0.38
ITGA4 P13612 1/20 0.33
KCNH2 Q12809 2/20 0.33

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
SCHEMBL9185101 0.86 PDE4D (0.43) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL9263149 0.85 PDE4D (0.39) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL9180522 0.84 PDE4D (0.41) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL9187915 0.82 PDE4D (0.53) PDE4DPDE4BPDE4APDE4CITGA4
SCHEMBL9183598 0.82 PDE4D (0.57) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL9181864 0.81 PDE4D (0.43) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL9186960 0.81 PDE4D (0.44) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL9180422 0.80 PDE4D (0.39) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL9188551 0.79 PDE4D (0.57) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL9184829 0.77 PDE4D (0.48) PDE4DPDE4BPDE4APDE4CITGA4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0469013-B1 NOVEL ARYLPYRIDAZINES, THEIR MANUFACTURE, USE AND MEDICAMENTS CONTAINING THEM BYK GULDEN LOMBERG CHEM FAB (DE) 1995-06-28 EP disclosed
US-5236918-A Bronchial disorders BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1993-08-17 US disclosed
EP-0469013-A1 NOVEL ARYLPYRIDAZINES, THEIR MANUFACTURE, USE AND MEDICAMENTS CONTAINING THEM. BYK GULDEN LOMBERG CHEM FAB (DE) 1992-02-05 EP disclosed
WO-1990012789-A1 NOVEL ARYLPYRIDAZINES, THEIR MANUFACTURE, USE AND MEDICAMENTS CONTAINING THEM BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1990-11-01 WO disclosed
EP-0393500-A1 Arylpyridazines, their preparation, their use and pharmaceuticals containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1990-10-24 EP disclosed