SCHEMBL28030360

SCHEMBL28030360

NC(=O)CCC(=O)Nc1cccnc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.67
HDAC3 O15379 2/20 0.64
HDAC4 P56524 2/20 0.64
HDAC1 Q13547 2/20 0.64
HDAC7 Q8WUI4 2/20 0.64
HDAC2 Q92769 2/20 0.64
HDAC10 Q969S8 2/20 0.64
HDAC11 Q96DB2 2/20 0.64
HDAC8 Q9BY41 2/20 0.64
HDAC6 Q9UBN7 2/20 0.64
HDAC9 Q9UKV0 2/20 0.64
HDAC5 Q9UQL6 2/20 0.64
LMNA P02545 2/20 0.62
POLB P06746 2/20 0.62
PKM P14618 2/20 0.62
EPHX2 P34913 1/20 0.61
NOTUM Q6P988 1/20 0.58
MAPK1 P28482 1/20 0.58
ALDH1A1 P00352 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57

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
SCHEMBL28253513 0.92 HDAC3 (0.76) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8277953 0.91 HDAC3 (0.78) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL3913781 0.87 HDAC3 (0.68) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
Iodide SCHEMBL3088158 0.85 HDAC3 (0.66) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL5356584 0.85 SMN1; SMN2 (0.73) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL28068633 0.83 HDAC3 (0.68) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL15480449 0.83 HDAC3 (0.88) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL5142691 0.83 ALDH1A1 (0.73) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL25154931 0.83 HDAC3 (0.71) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8278813 0.82 LMNA (0.78) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104860970-B A kind of zinc coordination polymer and the preparation method of Congo red complex thereof and purposes 苏州大学 2016-10-12 CN claimed
CN-104860970-B A kind of zinc coordination polymer and the preparation method of Congo red complex thereof and purposes 苏州大学 2016-10-12 CN disclosed
CN-104860970-A Preparation method and application of zinc coordination polymer and Congo red complex thereof UNIV SOOCHOW 2015-08-26 CN disclosed