SCHEMBL30858828

SCHEMBL30858828

NCCC(=O)Nc1cnc2ccccc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.73
HDAC1 Q13547 8/20 0.73
HDAC2 Q92769 8/20 0.73
HDAC3 O15379 7/20 0.73
HDAC10 Q969S8 7/20 0.73
HDAC4 P56524 6/20 0.73
HDAC7 Q8WUI4 6/20 0.73
HDAC11 Q96DB2 6/20 0.73
HDAC8 Q9BY41 6/20 0.73
HDAC9 Q9UKV0 6/20 0.73
HDAC5 Q9UQL6 6/20 0.73
NOTUM Q6P988 1/20 0.62
KDR P35968 1/20 0.61
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
KDM4E B2RXH2 3/20 0.59
RAB9A P51151 5/20 0.59
POLB P06746 3/20 0.59
LMNA P02545 1/20 0.59

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
SCHEMBL29221845 1.00 HDAC6 (0.73) HDAC6HDAC1HDAC2HDAC3HDAC10
SCHEMBL13365424 0.90 HDAC6 (0.67) HDAC6HDAC1HDAC2HDAC3HDAC10
SCHEMBL14461305 0.88 HDAC1 (0.72) HDAC6HDAC1HDAC2HDAC3HDAC10
SCHEMBL4929814 0.87 HDAC1 (0.71) HDAC6HDAC1HDAC2HDAC3HDAC10
SCHEMBL4866671 0.87 HDAC1 (0.71) HDAC6HDAC1HDAC2HDAC3HDAC10
SCHEMBL2641714 0.87 HDAC1 (0.71) HDAC6HDAC1HDAC2HDAC3HDAC10
SCHEMBL2641717 0.87 HDAC1 (0.81) HDAC6HDAC1HDAC2HDAC3HDAC10
SCHEMBL30858826 0.85 HDAC1 (0.81) HDAC6HDAC1HDAC2HDAC3HDAC10
SCHEMBL20509078 0.85 HDAC1 (0.76) HDAC6HDAC1HDAC2HDAC3HDAC10
SCHEMBL13991492 0.85 HDAC1 (0.72) HDAC6HDAC1HDAC2HDAC3HDAC10

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-117886748-A Quinoline amino acid conjugate and preparation method and application thereof 天津科技大学 2024-04-16 CN disclosed