SCHEMBL7362818

SCHEMBL7362818

O=c1ccc(-c2cccc(OC(F)(F)C(F)F)c2)n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.49
PDE3A Q14432 4/20 0.49
PDE4A P27815 3/20 0.49
PDE4B Q07343 3/20 0.49
PDE4C Q08493 3/20 0.49
PDE4D Q08499 3/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
CYP1A2 P05177 2/20 0.49
TP53 P04637 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
XDH P47989 1/20 0.46
JAK2 O60674 1/20 0.44
NTRK1 P04629 1/20 0.44

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
SCHEMBL30745160 0.88 XDH (0.59) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL29151059 0.88 XDH (0.59) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7367927 0.85 PDE3B (0.59) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7369722 0.83 LMNA (0.59) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL3159466 0.76 CYP1A2 (0.65) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10353459 0.76 CYP1A2 (0.74) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL1769732 0.75 JAK2 (0.62) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL10967551 0.74 MAPT (0.60) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL2152522 0.74 CYP1A2 (0.49) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10965403 0.73 CYP1A2 (0.48) PDE3BPDE3APDE4APDE4BPDE4C

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
US-4665074-A CARDIOTONIC, BRONCHOSPASMOLYTIC BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1987-05-12 US claimed
US-4665074-A CARDIOTONIC, BRONCHOSPASMOLYTIC BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1987-05-12 US disclosed
EP-0163965-A2 Pyridazinones, their preparation and use, medicaments containing pyridazinones Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1985-12-11 EP disclosed