SCHEMBL7369722

SCHEMBL7369722

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP1A2 P05177 2/20 0.50
PDE3B Q13370 4/20 0.47
PDE3A Q14432 4/20 0.47
PDE4A P27815 3/20 0.47
PDE4B Q07343 3/20 0.47
PDE4C Q08493 3/20 0.47
PDE4D Q08499 3/20 0.47
TP53 P04637 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HRH3 Q9Y5N1 7/20 0.45

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
SCHEMBL7369628 0.86 LMNA (0.64) LMNAMEN1KMT2ACYP1A2PDE3B
SCHEMBL7362818 0.83 PDE3B (0.49) LMNAMEN1KMT2ACYP1A2PDE3B
SCHEMBL10782022 0.80 LMNA (0.64) LMNAMEN1KMT2ACYP1A2PDE3B
SCHEMBL3452908 0.77 LMNA (0.80) LMNAMEN1KMT2ACYP1A2PDE3B
SCHEMBL1376637 0.74 LMNA (1.00) LMNAMEN1KMT2ACYP1A2PDE3B
SCHEMBL10966762 0.74 LMNA (0.61) LMNAMEN1KMT2ACYP1A2PDE3B
SCHEMBL10967581 0.74 LMNA (0.69) LMNAMEN1KMT2ACYP1A2PDE3B
Hydrochloric Acid SCHEMBL30367906 0.73 LMNA (0.59) LMNAMEN1KMT2ACYP1A2PDE3B
SCHEMBL14881124 0.72 CASP3 (0.56) LMNATP53MAPTNOTUM
SCHEMBL4122238 0.72 LMNA (0.67) LMNAMEN1KMT2ACYP1A2PDE3B

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