SCHEMBL9064892

SCHEMBL9064892

NCCC1CN(C(=O)c2ccc(N)c(N)c2)CCO1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.39
HPGD P15428 2/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GLRA1 P23415 1/20 0.37
PDE2A O00408 3/20 0.37
PKM P14618 1/20 0.36
NTRK1 P04629 1/20 0.36
LCK P06239 1/20 0.36
LRRK2 Q5S007 2/20 0.36

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
SCHEMBL9064536 0.93 JAK2 (0.38) JAK2HPGDALOX5APFEN1LOXL2
SCHEMBL17076661 0.74 JAK2 (0.55) JAK2HPGDALOX5APFEN1L3MBTL1
SCHEMBL546571 0.74 PKM (0.62) HPGDL3MBTL1PKM
Hydrochloric Acid SCHEMBL4027477 0.73 PKM (0.58) JAK2HPGDPDE2APKMLRRK2
Hydrochloric Acid SCHEMBL2947507 0.73 PKM (0.60) HPGDL3MBTL1PKM
SCHEMBL13725365 0.73 PDK1 (0.47) JAK2HPGDALOX5APFEN1
SCHEMBL18669235 0.72 PDK1 (0.40) NTRK1
SCHEMBL21070197 0.72 PDK1 (0.40) NTRK1
SCHEMBL21070422 0.72 PDK1 (0.40) NTRK1
SCHEMBL15649890 0.72 LRRK2 (0.58) JAK2HPGDL3MBTL1GLRA1PDE2A

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-5514676-A TO INHIBIT THE FORMATION OF ADVANCED GLYCOSLYATION PRODUCTS BY THE NONENZYMATIC CROSSLINKING OF PROTEINS WITH REDUCING SUGARS, USED IN FOOD PRESERVATION AND TO PREVENT PROTEIN AGING IN COLLAGEN OR LENSES IN THE EYE PRESERVATION THE ROCKEFELLER UNIVERSITY (US) 1996-05-07 US disclosed