SCHEMBL9316385

SCHEMBL9316385

O=C1c2ccccc2C(=O)N1OCC#CCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
CYP2C9 P11712 1/20 0.46
HTT P42858 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
RECQL P46063 1/20 0.39
CASP3 P42574 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL9066846 0.81 GAA (0.49) GAAALDH1A1KMT2ACYP1A2MAPT
SCHEMBL31366887 0.78 GAA (0.53) GAAALDH1A1KMT2ACYP1A2MAPT
SCHEMBL6524461 0.75 KMT2A (0.74) GAAALDH1A1KMT2ACYP1A2MAPT
SCHEMBL29367470 0.75 KMT2A (0.74) GAAALDH1A1KMT2ACYP1A2MAPT
SCHEMBL3755047 0.74 GAA (0.56) GAAALDH1A1KMT2ACYP1A2MAPT
SCHEMBL698426 0.74 GAA (0.56) GAAALDH1A1KMT2ACYP1A2MAPT
SCHEMBL31366899 0.73 GAA (0.47) GAAALDH1A1KMT2ACYP1A2MAPT
SCHEMBL3066754 0.73 GAA (0.65) GAAALDH1A1KMT2ACYP1A2MAPT
SCHEMBL13545621 0.72 GAA (0.69) GAAALDH1A1KMT2ACYP1A2MAPT
SCHEMBL8706627 0.72 RECQL (0.60) GAAALDH1A1KMT2ANR1H3RECQL

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-5374609-A Cyclohexenone oxime ethers and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 1994-12-20 US disclosed
US-5250505-A Particularly effective against grasses; low application rate; high selectivity; nonphytotoxic when used for broad-leaf crops and rice BASF AKTIENGESELLSCHAFT (DE) 1993-10-05 US disclosed