SCHEMBL6827697

SCHEMBL6827697

CC(CNC(=O)OC(=N)N)NC(=O)OC(=N)N.N=C(N)OC(=O)NCCNC(=O)OC(=N)N.N=C(N)OC(=O)Nc1ccc(NC(=O)OC(=N)N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.36
HTT P42858 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
KIF11 P52732 1/20 0.34
MAPK1 P28482 1/20 0.34
F7 P08709 3/20 0.34
EPHX1 P07099 1/20 0.34

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
SCHEMBL3064779 0.84 MEN1 (0.32)
SCHEMBL3079621 0.76 PRSS1 (0.48) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3079058 0.72 KIF11 (0.53) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3081774 0.71 ACHE (0.31) SMN1; SMN2EPHX1
SCHEMBL3070045 0.68 SMN1; SMN2 (0.50) MAPTHTTALDH1A1SMN1; SMN2NPC1
SCHEMBL7081864 0.68
SCHEMBL17864839 0.66 LMNA (0.57) L3MBTL1HTTALDH1A1SMN1; SMN2NPC1
SCHEMBL18685289 0.64 LMNA (0.62) L3MBTL1ALDH1A1SMN1; SMN2NPC1HPGD
SCHEMBL3075673 0.64 TSHR (0.38) ALDH1A1RAB9ACA12CA1CA2
SCHEMBL19779246 0.62 LMNA (0.53) MAPTL3MBTL1HTTALDH1A1SMN1; SMN2

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
EP-1472319-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2004-11-03 EP disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed