SCHEMBL30858813

SCHEMBL30858813

N[C@@H](CCC(=O)O)C(=O)Nc1cnc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.57
HDAC6 Q9UBN7 6/20 0.56
HDAC3 O15379 5/20 0.56
HDAC4 P56524 5/20 0.56
HDAC1 Q13547 5/20 0.56
HDAC7 Q8WUI4 5/20 0.56
HDAC2 Q92769 5/20 0.56
HDAC10 Q969S8 5/20 0.56
HDAC11 Q96DB2 5/20 0.56
HDAC8 Q9BY41 5/20 0.56
HDAC9 Q9UKV0 5/20 0.56
HDAC5 Q9UQL6 5/20 0.56
KDR P35968 1/20 0.55
LTA4H P09960 2/20 0.53
NPSR1 Q6W5P4 1/20 0.51
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
KDM4E B2RXH2 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 2/20 0.51

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
SCHEMBL29221824 1.00 ACP1 (0.57) ACP1HDAC6HDAC3HDAC4HDAC1
SCHEMBL29221826 1.00 ACP1 (0.57) ACP1HDAC6HDAC3HDAC4HDAC1
SCHEMBL29221838 0.88 ACP1 (0.59) ACP1HDAC6HDAC3HDAC4HDAC1
SCHEMBL29221830 0.88 ACP1 (0.59) ACP1HDAC6HDAC3HDAC4HDAC1
SCHEMBL30858817 0.88 ACP1 (0.59) ACP1HDAC6HDAC3HDAC4HDAC1
SCHEMBL1245420 0.87 RAB9A (0.56) ACP1HDAC6HDAC3HDAC4HDAC1
SCHEMBL1245421 0.87 RAB9A (0.56) ACP1HDAC6HDAC3HDAC4HDAC1
SCHEMBL4951758 0.87 RAB9A (0.56) ACP1HDAC6HDAC3HDAC4HDAC1
SCHEMBL29221840 0.84 HDAC1 (0.60) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL4949524 0.84 SCN9A (0.62) ACP1HDAC6HDAC3HDAC4HDAC1

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