SCHEMBL11273244

SCHEMBL11273244

CN/C=C(/C(C)=O)C(=O)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 1/20 0.49
SMYD3 Q9H7B4 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
MAOB P27338 2/20 0.43
HTT P42858 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
ACP3 P15309 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL11273245 1.00 MEN1 (0.49) MEN1KMT2AMAPTSMYD3HDAC1
SCHEMBL11275224 0.82 MEN1 (0.46) MEN1KMT2AMAPTSMYD3HDAC1
SCHEMBL11275212 0.82 MEN1 (0.46) MEN1KMT2AMAPTSMYD3HDAC1
SCHEMBL6684469 0.82 MEN1 (0.56) MEN1KMT2AMAPTSMYD3HDAC1
SCHEMBL30412285 0.76 MEN1 (0.59) MEN1KMT2AMAPTSMYD3HDAC1
SCHEMBL265041 0.76 MEN1 (0.59) MEN1KMT2AMAPTSMYD3HDAC1
SCHEMBL7640356 0.75 MEN1 (0.56) MEN1KMT2AMAPTSMYD3HDAC1
SCHEMBL6850939 0.75 MEN1 (0.67) MEN1KMT2AMAPTSMYD3HDAC1
SCHEMBL2164148 0.74 MEN1 (0.61) MEN1KMT2AMAPTSMYD3HDAC1
SCHEMBL11271901 0.74 MEN1 (0.57) MEN1KMT2AMAPTSMYD3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4319916-A 3-Acyl-5-phenyl-4(1H)-pyridinones and their use as herbicides ELI LILLY AND COMPANY (US) 1982-03-16 US disclosed