SCHEMBL7020535

SCHEMBL7020535

N#Cc1ccc(-c2nc(NCCNc3ccc([N+](=O)[O-])c(NCc4ccccc4)n3)ncc2C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 5/20 0.46
MAPT P10636 2/20 0.41
MERTK Q12866 2/20 0.39
JAK2 O60674 1/20 0.39
ABL1 P00519 1/20 0.39
NTRK1 P04629 1/20 0.39
INSR P06213 1/20 0.39
LCK P06239 1/20 0.39
CSF1R P07333 1/20 0.39
LYN P07948 1/20 0.39
RET P07949 1/20 0.39
IGF1R P08069 1/20 0.39
MET P08581 1/20 0.39
ROS1 P08922 1/20 0.39
PDGFRB P09619 1/20 0.39
FGR P09769 1/20 0.39
KIT P10721 1/20 0.39
SRC P12931 1/20 0.39
BRAF P15056 1/20 0.39
FLT1 P17948 1/20 0.39

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
SCHEMBL5091675 0.90 NPSR1 (0.47) SIRT5MAPTMERTKKDM4EALDH1A1
SCHEMBL7852303 0.89 MERTK (0.36) SIRT5MAPTMERTKFLT3ZAP70
SCHEMBL27559810 0.85 GSK3B (0.46) SIRT5MAPTMERTKZAP70SYK
SCHEMBL5100065 0.81 POLB (0.49) SIRT5MAPTMERTKJAK2ABL1
SCHEMBL5092032 0.81 GSK3B (0.44) MAPTKDM4EALDH1A1GAAMAPK8
SCHEMBL5093156 0.80 ALDH1A1 (0.39) SIRT5MAPTMERTKFLT3KDM4E
SCHEMBL7021332 0.80 EIF4E (0.38) SIRT5MAPTMERTKFLT3ZAP70
SCHEMBL27559808 0.79 EIF4E (0.39) SIRT5MAPTMERTKZAP70SYK
SCHEMBL6086128 0.77 SMN1; SMN2 (0.47) MAPTSTAT6KDM4EALDH1A1GAA
SCHEMBL7843791 0.76 SIRT5 (0.45) SIRT5MAPTPRKCQKDM4EALDH1A1

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-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed