SCHEMBL3455043

SCHEMBL3455043

CC[n+]1ccccc1Br.CC[n+]1ccccc1Br.CC[n+]1ccccc1Br.CC[n+]1ccccc1Br.CC[n+]1ccccc1Br.CC[n+]1ccccc1Br.CC[n+]1ccccc1Br.CC[n+]1ccccc1Br.N#CB([O-])[O-].N#CB([O-])[O-].N#CB([O-])[O-].N#CB([O-])[O-]

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.37
KDM4E B2RXH2 1/20 0.35
BCL2 P10415 1/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
STAT3 P40763 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL5403801 0.84 HDAC8 (0.41) HDAC8KDM4EBCL2MEN1NPC1
SCHEMBL29399791 0.84
SCHEMBL1325535 0.84
Hydrochloric Acid SCHEMBL1678456 0.82 HDAC8 (0.48) HDAC8KDM4EBCL2MEN1NPC1
SCHEMBL3455039 0.81 HDAC8 (0.38) HDAC8KDM4EMEN1NPC1ALDH1A1
SCHEMBL29475405 0.77 HDAC8 (0.43) HDAC8KDM4EBCL2MEN1NPC1
SCHEMBL29387158 0.77 HDAC8 (0.43) HDAC8KDM4EBCL2MEN1NPC1
SCHEMBL120909 0.77 HDAC8 (0.43) HDAC8KDM4EBCL2MEN1NPC1
SCHEMBL30054627 0.75 HDAC8 (0.42) HDAC8KDM4EBCL2MEN1NPC1
SCHEMBL6681014 0.75 HDAC8 (0.38) HDAC8KDM4EMEN1NPC1ALDH1A1

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
US-8895652-B2 High refractive index materials and composites AJJER, LLC (US) 2014-11-25 US disclosed
US-20100291374-A1 Composites Comprising Nanoparticles AJJER LLC (US) 2010-11-18 US disclosed
US-20100044640-A1 High refractive index materials and composites AJJER LLC (US) 2010-02-25 US disclosed