SCHEMBL8044917

SCHEMBL8044917

N#CC(CCCCCC(=O)NOC(=O)c1ccccc1)(c1ccc2ccccc2c1)c1ccc2ccccc2n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.36
HDAC8 Q9BY41 9/20 0.36
HDAC2 Q92769 9/20 0.36
HDAC3 O15379 7/20 0.36
HDAC4 P56524 7/20 0.36
HDAC7 Q8WUI4 7/20 0.36
HDAC10 Q969S8 7/20 0.36
HDAC11 Q96DB2 7/20 0.36
HDAC6 Q9UBN7 7/20 0.36
HDAC9 Q9UKV0 7/20 0.36
HDAC5 Q9UQL6 7/20 0.36
CYSLTR1 Q9Y271 4/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.33

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
SCHEMBL8045199 0.93 HDAC1 (0.38) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL8035061 0.91 AHR (0.39) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL8050153 0.88 HDAC1 (0.36) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL8049803 0.85 HDAC1 (0.47) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL8052938 0.85 HDAC1 (0.35) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL8049785 0.81 HDAC1 (0.37) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL8047275 0.80 AHR (0.39) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL8047362 0.79 CYSLTR2 (0.46) CYSLTR1MAPTKMT2ACYSLTR2
SCHEMBL8044655 0.79 CYP3A4 (0.43) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL8049747 0.79 CYP3A4 (0.43) HDAC1HDAC8HDAC2HDAC3HDAC4

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