SCHEMBL27553239

SCHEMBL27553239

CC(O)C(=O)Nc1ccccc1CN

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ MDM4 O15151 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ CETP P11597 1/20 0.46
▸ POLB P06746 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ TAS1R3 Q7RTX0 1/20 0.44
▸ TAS1R1 Q7RTX1 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ MDM2 Q00987 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ PKM P14618 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GAA P10253 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NOS3 P29474 1/20 0.40
▸ NOS1 P29475 1/20 0.40
▸ NOS2 P35228 1/20 0.40

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
SCHEMBL28063105 0.85 L3MBTL1 (0.55) L3MBTL1MDM4TP53CETPPOLB
SCHEMBL28063106 0.85 L3MBTL1 (0.53) L3MBTL1MDM4TP53CETPPOLB
SCHEMBL27905665 0.82 HTT (0.51) L3MBTL1POLBALDH1A1TAS1R3TAS1R1
SCHEMBL11405720 0.81 L3MBTL1 (0.51) L3MBTL1MDM4TP53CETPPOLB
SCHEMBL27810581 0.80 L3MBTL1 (0.48) L3MBTL1MDM4TP53CETPPOLB
SCHEMBL28252340 0.80 L3MBTL1 (0.47) L3MBTL1MDM4TP53CETPPOLB
SCHEMBL28252343 0.80 L3MBTL1 (0.43) L3MBTL1MDM4TP53CETPPOLB
SCHEMBL8631475 0.79 ALDH1A1 (0.55) POLBALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL24420075 0.79 POLB (0.55) L3MBTL1POLBALDH1A1HTTMAPT
SCHEMBL27483868 0.78 GAA (0.50) L3MBTL1POLBALDH1A1MAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101417964-A Use of compounds for the elevation of pyruvate dehydrogenase activity ASTRAZENECA AB (SE) 2009-04-29 — — CN disclosed
CN-1303281-A Application of compound in enhancing activity of pyruvate dehydrogenase ASTRA ZENECA LTD (SE) 2001-07-11 — — CN disclosed
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