SCHEMBL18210952

SCHEMBL18210952

NCCCCNc1nc(NCCCCN)nc(NCCOCCOCCOCCOCCO)n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 7/20 0.51
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
NPY1R P25929 1/20 0.35
NPY5R Q15761 1/20 0.35
SLC29A1 Q99808 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
SCHEMBL1292560 0.84 KCNH3 (0.65) KCNH3KMT2AMEN1ALDH1A1
SCHEMBL2843832 0.80 KCNH3 (0.56) KCNH3KMT2AMEN1ALDH1A1
SCHEMBL12373450 0.79 KMT2A (0.57) KCNH3KMT2AMEN1CA12CA1
SCHEMBL1274316 0.78 CA12 (0.46) KCNH3KMT2AMEN1CA12CA1
SCHEMBL7777696 0.78 KCNH3 (0.51) KCNH3KMT2AMEN1ALDH1A1CA1
SCHEMBL1273822 0.76 CA12 (0.45) KCNH3KMT2ACA12CA1CA2
SCHEMBL1272863 0.76 CA12 (0.45) KCNH3KMT2ACA12CA1CA2
SCHEMBL2370363 0.76 KCNH3 (0.53) KCNH3KMT2AMEN1ALDH1A1CA1
SCHEMBL8146602 0.76 KCNH3 (0.56) KCNH3KMT2AMEN1ALDH1A1
SCHEMBL6639253 0.76 KCNH3 (0.56) KCNH3KMT2AALDH1A1CA12CA1

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-9486535-B2 Methods of making and using nanostructures TYCHON BIOSCIENCE, LLC (US) 2016-11-08 US disclosed
US-9486535-B2 Methods of making and using nanostructures TYCHON BIOSCIENCE, LLC (US) 2016-11-08 US disclosed