SCHEMBL9815919

SCHEMBL9815919

CCCCCCCCCc1ccc(C2=NNC(=O)CC2)cc1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.65
NPY1R P25929 1/20 0.65
NPY2R P49146 1/20 0.65
MAPT P10636 4/20 0.58
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 2/20 0.48
PDE3B Q13370 6/20 0.47
PDE3A Q14432 6/20 0.47
PDE2A O00408 2/20 0.47
PDE1A P54750 1/20 0.47
PDE1B Q01064 1/20 0.47
PDE1C Q14123 1/20 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
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 3/20 0.45
RARB P10826 4/20 0.44
MEN1 O00255 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
SCHEMBL21969533 0.88 MAPT (0.63) LMNANPY1RNPY2RMAPTSMN1; SMN2
SCHEMBL8100411 0.86 SMN1; SMN2 (0.53) LMNANPY1RNPY2RMAPTSMN1; SMN2
SCHEMBL8100532 0.86 SMN1; SMN2 (0.53) LMNANPY1RNPY2RMAPTSMN1; SMN2
SCHEMBL8110737 0.84 SMN1; SMN2 (0.54) LMNANPY1RNPY2RMAPTSMN1; SMN2
SCHEMBL8114164 0.83 SMN1; SMN2 (0.55) LMNANPY1RNPY2RMAPTSMN1; SMN2
SCHEMBL7297347 0.80 SMN1; SMN2 (0.58) LMNANPY1RNPY2RMAPTSMN1; SMN2
SCHEMBL7358963 0.80 SMN1; SMN2 (0.58) LMNANPY1RNPY2RMAPTSMN1; SMN2
SCHEMBL10967326 0.79 LMNA (1.00) LMNANPY1RNPY2RMAPTSMN1; SMN2
SCHEMBL10474199 0.78 LMNA (0.62) LMNANPY1RNPY2RMAPTSMN1; SMN2
SCHEMBL10353452 0.78 SMN1; SMN2 (0.81) LMNANPY1RNPY2RMAPTSMN1; SMN2

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-0160416-B1 SUBSTITUTED PYRIDAZINES Chisso Corporation (JP) 1991-09-11 EP disclosed
US-4657695-A FERROELECTRIC LIQUIDS CRYSTALS CHISSO CORPORATION (JP) 1987-04-14 US disclosed
EP-0160416-A2 Substituted pyridazines Chisso Corporation (JP) 1985-11-06 EP disclosed