Spermine

Spermine

SCHEMBL674873

NCCCNCCCCNCCCN.O=C(O)C(F)(F)F

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.67
CA5A P35218 4/20 0.56
CA5B Q9Y2D0 4/20 0.56
CA12 O43570 3/20 0.56
CA2 P00918 3/20 0.56
CA4 P22748 3/20 0.56
CA6 P23280 3/20 0.56
CA7 P43166 3/20 0.56
CA9 Q16790 3/20 0.56
CA14 Q9ULX7 3/20 0.56
F13A1 P00488 2/20 0.56
CYP1A2 P05177 2/20 0.56
ALOX15 P16050 2/20 0.56
THPO P40225 2/20 0.56
CASP2 P42575 2/20 0.56
MEN1 O00255 1/20 0.56
CYP2C19 P33261 1/20 0.56
RECQL P46063 1/20 0.56
KMT2A Q03164 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
Spermine SCHEMBL3134527 1.00 HDAC6 (0.67) HDAC6CA5ACA5BCA12CA2
Trifluoroacetic Acid SCHEMBL27850161 0.89 HDAC6 (0.52) HDAC6CA5ACA5BCA12CA2
Trifluoroacetic Acid SCHEMBL5548189 0.88 HDAC6 (0.54) HDAC6CA5ACA5BCA12CA2
Trifluoroacetic Acid SCHEMBL8501095 0.88 HDAC6 (0.58) HDAC6CA5ACA5BCA12CA2
Trifluoroacetic Acid SCHEMBL31581884 0.85 HDAC6 (0.56) HDAC6CA5ACA5BCA12CA2
Trifluoroacetic Acid SCHEMBL31581995 0.85 HDAC6 (0.56) HDAC6CA5ACA5BCA12CA2
Trifluoroacetic Acid SCHEMBL4619732 0.85 HDAC6 (0.51) HDAC6CA5ACA5BCA12CA2
Trifluoroacetic Acid SCHEMBL3298655 0.85 HDAC6 (0.51) HDAC6CA5ACA5BCA12CA2
Spermine SCHEMBL7750968 0.81 CA12 (0.68) HDAC6CA5ACA5BCA12CA2
Trifluoroacetic Acid SCHEMBL1273482 0.81 HDAC6 (0.47) HDAC6CA5ACA5BCA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015057847-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS CERULEAN PHARMA INC. (US) 2015-04-23 WO disclosed
EP-2817345-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS Cerulean Pharma Inc. (US) 2014-12-31 EP disclosed
WO-2013126564-A1 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS CERULEAN PHARMA INC. (US) 2013-08-29 WO disclosed
EP-2605799-A2 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS Cerulean Pharma Inc. (US) 2013-06-26 EP disclosed
WO-2012024526-A2 CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS CERULEAN PHARMA INC. (US) 2012-02-23 WO disclosed