SCHEMBL30209652

SCHEMBL30209652

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.46
HDAC8 Q9BY41 6/20 0.46
HDAC2 Q92769 5/20 0.46
HDAC1 Q13547 5/20 0.46
PFKFB3 Q16875 4/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
KDM4E B2RXH2 4/20 0.45
LMNA P02545 3/20 0.45
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL30209643 0.82 PFKFB3 (0.52) HDAC6HDAC8HDAC2HDAC1PFKFB3
SCHEMBL30209650 0.82 BACE1 (0.47) HDAC6HDAC8HDAC2HDAC1PFKFB3
SCHEMBL30209657 0.82 MAPT (0.52) HDAC6HDAC8HDAC2HDAC1PFKFB3
SCHEMBL30209641 0.79 HDAC8 (0.71) HDAC6HDAC8HDAC2HDAC1PFKFB3
SCHEMBL30209665 0.78 HDAC6 (0.53) HDAC6HDAC8HDAC2HDAC1PFKFB3
SCHEMBL30209647 0.78 PFKFB3 (0.55) HDAC6HDAC8HDAC2HDAC1PFKFB3
SCHEMBL5717629 0.78 LMNA (0.73) HDAC6HDAC8HDAC2HDAC1PFKFB3
SCHEMBL30209642 0.78 LMNA (0.73) HDAC6HDAC8HDAC2HDAC1PFKFB3
SCHEMBL5717630 0.78 LMNA (0.73) HDAC6HDAC8HDAC2HDAC1PFKFB3
SCHEMBL13456148 0.75 CCR1 (0.47) HDAC6HDAC8HDAC2HDAC1PFKFB3

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