SCHEMBL9319641

SCHEMBL9319641

NCCNCCNCCN(CCN(CCO)CCO)CCN(CCO)CCO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.48
CA6 P23280 5/20 0.48
CA7 P43166 5/20 0.48
CA9 Q16790 5/20 0.48
CA14 Q9ULX7 5/20 0.48
CA5B Q9Y2D0 5/20 0.48
CA2 P00918 4/20 0.48
CA4 P22748 4/20 0.48
CA5A P35218 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
LMNA P02545 3/20 0.48
CA3 P07451 3/20 0.48
ALOX15 P16050 3/20 0.48
CA1 P00915 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 2/20 0.43

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
SCHEMBL16058290 0.98 CA12 (0.50) CA12CA6CA7CA9CA14
SCHEMBL1262514 0.98 CA12 (0.50) CA12CA6CA7CA9CA14
SCHEMBL1263735 0.96 CYP2C19 (0.50) CA12CA6CA7CA9CA14
SCHEMBL16041150 0.94 CA12 (0.46) CA12CA6CA7CA9CA14
SCHEMBL11149570 0.91 CYP2C19 (0.46) CA12CA6CA7CA9CA14
SCHEMBL8661155 0.87 CA12 (0.48) CA12CA6CA7CA9CA14
SCHEMBL6754025 0.87 CA12 (0.48) CA12CA6CA7CA9CA14
SCHEMBL23489524 0.86 CA12 (0.65) CA12CA6CA7CA9CA14
SCHEMBL23489569 0.86 CA12 (0.65) CA12CA6CA7CA9CA14
SCHEMBL10391767 0.84 CYP2C19 (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0577675-A1 CONTRAST MEDIA NYCOMED SALUTAR, INC. (US) 1994-01-12 EP disclosed