SCHEMBL7369628

SCHEMBL7369628

O=c1ccc(-c2ccc(OC(F)(F)F)cc2)n[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.64
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
CYP1A2 P05177 3/20 0.54
NOTUM Q6P988 1/20 0.54
SCN5A Q14524 2/20 0.49
HRH3 Q9Y5N1 5/20 0.48
PDE3B Q13370 4/20 0.48
PDE3A Q14432 4/20 0.48
PDE4A P27815 3/20 0.48
PDE4B Q07343 3/20 0.48
PDE4C Q08493 3/20 0.48
PDE4D Q08499 3/20 0.48
KCNH2 Q12809 1/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 1/20 0.46
JAK2 O60674 1/20 0.44
NTRK1 P04629 1/20 0.44
RET P07949 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
SCHEMBL7369722 0.86 LMNA (0.59) LMNAMEN1KMT2ACYP1A2NOTUM
SCHEMBL29151059 0.82 XDH (0.59) LMNAMEN1KMT2ACYP1A2PDE3B
SCHEMBL30745160 0.82 XDH (0.59) LMNAMEN1KMT2ACYP1A2PDE3B
SCHEMBL14881124 0.81 CASP3 (0.56) LMNANOTUMSCN5APOLBL3MBTL1
SCHEMBL3452908 0.80 LMNA (0.80) LMNAMEN1KMT2ACYP1A2HRH3
SCHEMBL1376637 0.78 LMNA (1.00) LMNAMEN1KMT2ACYP1A2NOTUM
SCHEMBL10966762 0.78 LMNA (0.61) LMNAMEN1KMT2ACYP1A2NOTUM
SCHEMBL13070912 0.78 PDE4A (0.56) LMNAMEN1KMT2ACYP1A2NOTUM
SCHEMBL10782022 0.77 LMNA (0.64) LMNAMEN1KMT2ACYP1A2HRH3
SCHEMBL38652709 0.77 PDE4A (0.55) LMNAMEN1KMT2ACYP1A2NOTUM

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