SCHEMBL9630141

SCHEMBL9630141

CC(O)Cc1ccc(C2=NNC(=O)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
LMNA P02545 2/20 0.52
NPY1R P25929 1/20 0.52
NPY2R P49146 1/20 0.52
PDE3B Q13370 11/20 0.49
PDE3A Q14432 10/20 0.49
PDE4A P27815 5/20 0.48
PDE4B Q07343 5/20 0.48
PDE4C Q08493 5/20 0.48
PDE4D Q08499 5/20 0.48
KCNH2 Q12809 1/20 0.48
PDE2A O00408 3/20 0.45
PDE1A P54750 1/20 0.45
PDE1B Q01064 1/20 0.45
PDE1C Q14123 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 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
SCHEMBL9631761 0.82 MAPT (0.52) MAPTKMT2ASMN1; SMN2LMNANPY1R
SCHEMBL8116055 0.81 MAPT (0.54) MAPTKMT2ASMN1; SMN2LMNANPY1R
SCHEMBL9631025 0.81 SMN1; SMN2 (0.55) MAPTKMT2ASMN1; SMN2LMNANPY1R
SCHEMBL10572953 0.81 SMN1; SMN2 (0.58) MAPTKMT2ASMN1; SMN2LMNANPY1R
SCHEMBL7312349 0.80 SMN1; SMN2 (0.62) MAPTKMT2ASMN1; SMN2LMNANPY1R
SCHEMBL7298599 0.79 SMN1; SMN2 (0.61) MAPTKMT2ASMN1; SMN2LMNANPY1R
SCHEMBL10353452 0.79 SMN1; SMN2 (0.81) MAPTKMT2ASMN1; SMN2LMNANPY1R
SCHEMBL9686065 0.78 SMN1; SMN2 (0.55) MAPTKMT2ASMN1; SMN2LMNANPY1R
SCHEMBL8339349 0.78 SMN1; SMN2 (0.55) MAPTKMT2ASMN1; SMN2LMNANPY1R
SCHEMBL21969533 0.78 MAPT (0.63) MAPTKMT2ASMN1; SMN2LMNANPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5153210-A Hypoglycemic agent, animal growth regulator; veterinary medicine BEECHAM GROUP P.L.C. (GB) 1992-10-06 US disclosed
EP-0236624-A2 Substituted phenyl ethanol amines, processes for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1987-09-16 EP disclosed