SCHEMBL30209657

SCHEMBL30209657

NC(=O)C=Cc1ccc2cc(Br)ccc2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HDAC6 Q9UBN7 7/20 0.49
HDAC2 Q92769 7/20 0.49
HDAC1 Q13547 7/20 0.49
HDAC8 Q9BY41 6/20 0.49
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
BACE1 P56817 1/20 0.47
PFKFB3 Q16875 2/20 0.46
KDM4E B2RXH2 4/20 0.45
LMNA P02545 3/20 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
SCHEMBL28980463 0.86 KDM4E (0.62) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL30209643 0.82 PFKFB3 (0.52) MAPTMEN1KMT2AALDH1A1HDAC6
SCHEMBL30209652 0.82 HDAC6 (0.46) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL30209650 0.82 BACE1 (0.47) MAPTALDH1A1L3MBTL1HDAC6HDAC2
SCHEMBL30209641 0.79 HDAC8 (0.71) MAPTMEN1KMT2AALDH1A1HDAC6
SCHEMBL30209665 0.78 HDAC6 (0.53) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL30209647 0.78 PFKFB3 (0.55) MAPTALDH1A1HDAC6HDAC2HDAC1
SCHEMBL19511084 0.78 KDM4E (0.49) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL30350579 0.78 KDM4E (0.49) MAPTMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL5717629 0.78 LMNA (0.73) MAPTMEN1KMT2AALDH1A1L3MBTL1

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
CN-115745898-A Aromatic acrylamide-triazole compound, and preparation method and application thereof 许昌学院 2023-03-07 CN disclosed