SCHEMBL8650396

SCHEMBL8650396

CC(c1ccccc1)c1ccccc1.O=C(CCCC(=O)Nc1ccccc1)Nc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 15/20 0.65
HDAC1 Q13547 15/20 0.65
HDAC7 Q8WUI4 15/20 0.65
HDAC11 Q96DB2 15/20 0.65
HDAC8 Q9BY41 15/20 0.65
HDAC6 Q9UBN7 15/20 0.65
HDAC9 Q9UKV0 15/20 0.65
HDAC5 Q9UQL6 15/20 0.65
HDAC3 O15379 14/20 0.65
HDAC2 Q92769 14/20 0.65
HDAC10 Q969S8 14/20 0.65
CYP3A4 P08684 2/20 0.60
KDM4E B2RXH2 1/20 0.60
BRD4 O60885 1/20 0.60
NCOR1 O75376 1/20 0.60
NR1I2 O75469 1/20 0.60
EGFR P00533 1/20 0.60
LTA4H P09960 1/20 0.60
NR0B1 P51843 1/20 0.60
PLK1 P53350 1/20 0.60

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
SCHEMBL6296181 0.87 HDAC4 (0.75) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL517309 0.83 HDAC4 (0.81) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL12703834 0.82 HDAC4 (0.69) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL3806017 0.82 MEN1 (0.73) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL28904954 0.81 HDAC3 (0.58) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL29191670 0.81 HDAC8 (0.69) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL6669511 0.81 HDAC4 (0.85) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL1065393 0.81 HDAC4 (0.85) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL137348 0.81 HDAC4 (0.85) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL6665592 0.81 HDAC4 (0.85) HDAC4HDAC1HDAC7HDAC11HDAC8

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
US-5773593-A WATERFASTNESS, LIGHTFASTNESS, OPTICAL DENSITY ZENECA LIMITED (GB) 1998-06-30 US disclosed
EP-0471454-A1 Reactive pyridone azo dyestuffs ZENECA LIMITED (GB) 1992-02-19 EP disclosed