SCHEMBL4385124

SCHEMBL4385124

O=C(CCCCCCCCCCN1c2ccccc2C(C(=O)Oc2c(Br)cccc2Br)c2ccccc21)ON1C(=O)CCC1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 16/20 0.38
HDAC6 Q9UBN7 11/20 0.38
HDAC3 O15379 10/20 0.38
HDAC2 Q92769 10/20 0.38
HDAC10 Q969S8 10/20 0.38
HDAC8 Q9BY41 10/20 0.38
HDAC4 P56524 9/20 0.38
HDAC7 Q8WUI4 9/20 0.38
HDAC11 Q96DB2 9/20 0.38
HDAC9 Q9UKV0 9/20 0.38
HDAC5 Q9UQL6 9/20 0.38
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CDC25A P30304 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
SCHEMBL4370788 0.96 HDAC3 (0.33) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL4377350 0.86 HDAC1 (0.36) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL1603218 0.86 HDAC3 (0.32) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL4382793 0.83 KMT2A (0.35) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL1602668 0.82 DRD2 (0.31)
SCHEMBL12096564 0.76 ALDH1A1 (0.34) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL1603410 0.76 HDAC3 (0.31) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL1603303 0.72 DRD2 (0.31)
SCHEMBL16847503 0.70 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2
SCHEMBL11702704 0.69 HDAC8 (0.53) HDAC1HDAC6HDAC3HDAC2HDAC10

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
EP-1658503-B1 CHEMILUMINESCENT COMPOUNDS MOLECULAR LIGHT TECH RES LTD (GB) 2009-11-18 EP claimed