SCHEMBL5960649

SCHEMBL5960649

NCCCCCC(N)NCCNCCN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.46
CA6 P23280 5/20 0.46
CA7 P43166 5/20 0.46
CA9 Q16790 5/20 0.46
CA14 Q9ULX7 5/20 0.46
CA5B Q9Y2D0 5/20 0.46
CA2 P00918 4/20 0.46
CA4 P22748 4/20 0.46
CA5A P35218 4/20 0.46
LMNA P02545 3/20 0.46
CA3 P07451 3/20 0.46
ALOX15 P16050 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
CA1 P00915 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
KDM4E B2RXH2 1/20 0.44
CASP2 P42575 2/20 0.42
MEN1 O00255 2/20 0.42
RECQL P46063 2/20 0.42

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
SCHEMBL10939589 0.91 CA12 (0.50) CA12CA6CA7CA9CA14
SCHEMBL4612811 0.89 CA12 (0.38) CA12CA6CA7CA9CA14
SCHEMBL8690794 0.89 CA12 (0.38) CA12CA6CA7CA9CA14
SCHEMBL28321413 0.89 CA12 (0.38) CA12CA6CA7CA9CA14
SCHEMBL6027114 0.87 GSR (0.38) CA12CA6CA7CA9CA14
SCHEMBL11408322 0.86 GNAI3 (0.41) CA12CA6CA7CA9CA14
SCHEMBL28465765 0.86 CA12 (0.50) CA12CA6CA7CA9CA14
Medronic Acid SCHEMBL18285455 0.85 ANPEP (0.44) CA12CA6CA7CA9CA14
SCHEMBL23291093 0.85 GNAI3 (0.41) CA12CA6CA7CA9CA14
SCHEMBL21173981 0.85 GNAI3 (0.41) CA12CA6CA7CA9CA14

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3321300-A1 PARTICULATE SOLID COMPOSITE MATERIAL FOR NUCLEIC ACID PURIFICATION COMPRISING MAGNETIC NANOPARTICLES AXAGARIUS GmbH & Co. KG (DE) 2018-05-16 EP disclosed
EP-1652433-B2 Herbicidal compositions FMC CORP (US) 2014-01-22 EP disclosed
US-7141629-B2 Epoxy resin composition HUNTSMAN ADVANCED MATERIALS AMERICAS INC. (US) 2006-11-28 US disclosed
US-20030149194-A1 Epoxy resin composition HUNTSMAN ADVANCED MATERIALS AMERICAS INC. (N/K/A HUNTSMAN ADVANCED MATERIALS AMERICAS LLC) 2003-08-07 US disclosed
US-4708924-A CORE AND COVERING KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1987-11-24 US disclosed
US-4417916-A POLYMETHYLENEPOLYPHENYLENE POLYISOCYANATE, POLYUREA, LIGNIN MONSANTO COMPANY (US) 1983-11-29 US disclosed
US-4280833-A POLYMETHYLENEPOLYPHENYLENE POLYUREA MONSANTO COMPANY (US) 1981-07-28 US disclosed