SCHEMBL16449244

SCHEMBL16449244

C=Cc1ccc(C[n+]2cccc3ccc4c(ccc[n+]4Cc4cccc(B(O)O)c4)c32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
MITF O75030 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.40
ACHE P22303 4/20 0.38
BCHE P06276 2/20 0.38
ENPP2 Q13822 2/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CHKA P35790 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
APOBEC3A P31941 1/20 0.32

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
SCHEMBL10136994 0.90 KDM4E (0.44) KDM4ERAB9ANPC1MITFALDH1A1
SCHEMBL13996862 0.86 KDM4E (0.59) KDM4ERAB9ANPC1MITFALDH1A1
SCHEMBL12530151 0.85 KDM4E (0.45) KDM4ERAB9ANPC1MITFALDH1A1
SCHEMBL10168658 0.78 KDM4E (0.51) KDM4ERAB9ANPC1MITFALDH1A1
SCHEMBL14950829 0.77 KDM4E (0.58) KDM4ERAB9ANPC1MITFALDH1A1
SCHEMBL2737171 0.77 KDM4E (0.33) KDM4ERAB9ANPC1MITFALDH1A1
SCHEMBL12530089 0.73 ENPP2 (0.42) KDM4ERAB9AALDH1A1ACHEBCHE
SCHEMBL16449242 0.72 KDM4E (0.35) KDM4ERAB9ANPC1MITFALDH1A1
SCHEMBL12530183 0.71 ENPP2 (0.31) KDM4ERAB9ANPC1MITFALDH1A1
SCHEMBL5953945 0.68

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
US-8951503-B2 Optical determination of glucose utilizing boronic acid adducts THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-02-10 US disclosed