SCHEMBL3455039

SCHEMBL3455039

CC[n+]1ccccc1Br.N#C[B-](C#N)(C#N)C#N

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.38
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 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
KMT2A Q03164 1/20 0.31
POLB P06746 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
SCHEMBL1325535 0.85
SCHEMBL29399791 0.85
Hydrochloric Acid SCHEMBL1678456 0.83 HDAC8 (0.48) HDAC8KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL120909 0.82 HDAC8 (0.43) HDAC8KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL29387158 0.82 HDAC8 (0.43) HDAC8KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3455043 0.81 HDAC8 (0.37) HDAC8KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL30054627 0.80 HDAC8 (0.42) HDAC8KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL29475405 0.78 HDAC8 (0.43) HDAC8KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5403801 0.75 HDAC8 (0.41) HDAC8KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL6681014 0.72 HDAC8 (0.38) HDAC8KDM4ENPC1RAB9ASMN1; SMN2

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