SCHEMBL8052938

SCHEMBL8052938

N#CC(CCCCCC(=O)NOC(=O)c1ccccc1)(c1ccc2ccccc2n1)c1cccs1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.35
HDAC2 Q92769 6/20 0.35
HDAC3 O15379 4/20 0.35
HDAC4 P56524 4/20 0.35
HDAC7 Q8WUI4 4/20 0.35
HDAC10 Q969S8 4/20 0.35
HDAC11 Q96DB2 4/20 0.35
HDAC8 Q9BY41 4/20 0.35
HDAC6 Q9UBN7 4/20 0.35
HDAC9 Q9UKV0 4/20 0.35
HDAC5 Q9UQL6 4/20 0.35
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK1 P28482 1/20 0.30
CYSLTR2 Q9NS75 1/20 0.30
CYSLTR1 Q9Y271 1/20 0.30

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
SCHEMBL8045910 0.88 HDAC1 (0.35) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8045199 0.88 HDAC1 (0.38) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8052937 0.86 HDAC1 (0.48) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8044917 0.85 HDAC1 (0.36) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8035061 0.83 AHR (0.39) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8046084 0.80 CYSLTR2 (0.42) KDM4ECYSLTR2CYSLTR1
SCHEMBL8049785 0.77 HDAC1 (0.37) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8049747 0.76 CYP3A4 (0.43) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8044655 0.76 CYP3A4 (0.43) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8045631 0.74 HDAC6 (0.39) HDAC1HDAC2HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749957-B1 Aromatic hydroxamic acid compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-04-26 EP disclosed
EP-0749957-A1 Aromatic hydroxamic acid compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1996-12-27 EP disclosed