SCHEMBL9066846

SCHEMBL9066846

C#CCC#CCON1C(=O)c2ccccc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CYP1A2 P05177 2/20 0.43
MAPT P10636 2/20 0.43
CYP2C9 P11712 1/20 0.43
ATM Q13315 1/20 0.41
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.39
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL698426 0.84 GAA (0.56) GAAALDH1A1KMT2AMEN1CYP1A2
SCHEMBL9316385 0.81 GAA (0.49) GAAALDH1A1KMT2AMEN1CYP1A2
SCHEMBL31366887 0.78 GAA (0.53) GAAALDH1A1KMT2AMEN1CYP1A2
SCHEMBL31366901 0.75 GAA (0.62) GAAALDH1A1KMT2AMEN1CYP1A2
SCHEMBL3755047 0.74 GAA (0.56) GAAALDH1A1KMT2AMEN1CYP1A2
SCHEMBL31366899 0.73 GAA (0.47) GAAALDH1A1KMT2AMEN1CYP1A2
SCHEMBL13545621 0.72 GAA (0.69) GAAALDH1A1KMT2AMEN1CYP1A2
SCHEMBL20546987 0.72 GAA (0.59) GAAALDH1A1KMT2AMEN1CYP1A2
SCHEMBL17641579 0.72 GAA (0.43) GAAALDH1A1KMT2AMEN1CYP1A2
SCHEMBL6876956 0.71 GAA (0.57) GAAALDH1A1KMT2AMEN1CYP1A2

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-5482938-A Azabicyclo and azacyclo oxime and amine cholinergic agents and methods of treatment WARNER-LAMBERT COMPANY (US) 1996-01-09 US disclosed
US-5346911-A Analgesics, cognition activators, treatment of alzheimer*s s disease WARNER-LAMBERT COMPANY (US) 1994-09-13 US disclosed
US-5306718-A Analgesics, cognition activators WARNER-LAMBERT COMPANY (US) 1994-04-26 US disclosed