SCHEMBL28625843

SCHEMBL28625843

COC(=O)/C=C/c1cn(C(C)c2ccccc2)nn1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 16/20 0.53
HDAC4 P56524 16/20 0.53
HDAC1 Q13547 16/20 0.53
HDAC7 Q8WUI4 16/20 0.53
HDAC2 Q92769 16/20 0.53
HDAC10 Q969S8 16/20 0.53
HDAC11 Q96DB2 16/20 0.53
HDAC8 Q9BY41 16/20 0.53
HDAC6 Q9UBN7 16/20 0.53
HDAC9 Q9UKV0 16/20 0.53
HDAC5 Q9UQL6 16/20 0.53
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL28645125 1.00 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28265446 0.78 P2RX7 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28637947 0.78 P2RX7 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28621729 0.73 HDAC1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28261748 0.73 HDAC1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28638771 0.73 HDAC1 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6996836 0.72 CA12 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28660008 0.72 HDAC2 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28621784 0.72 HDAC2 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20518391 0.69 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2

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-108997231-B (E) Synthesis method of-configuration alkenyl ester triazole compound 陕西师范大学 2021-09-21 CN disclosed