SCHEMBL7856145

SCHEMBL7856145

CCOC(=O)c1cnc(NCC[AsH]c2ccc([N+](=O)[O-])cn2)nc1-c1ccc(-n2cnnc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
RAB9A P51151 5/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
ALDH1A1 P00352 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CA9 Q16790 4/20 0.35
GAA P10253 1/20 0.35
CA12 O43570 3/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 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
SCHEMBL5094009 0.88 MAPT (0.44) MAPTRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL5092303 0.78 MAPT (0.51) MAPTRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL5094666 0.77 MAPT (0.49) MAPTRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL5092017 0.76 RAB9A (0.48) MAPTRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL5093391 0.76 MAPT (0.48) MAPTRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL5089131 0.76 MAPT (0.46) MAPTRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL5092467 0.76 MAPT (0.50) MAPTRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL5094456 0.76 GSK3B (0.49) MAPTRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL5089344 0.76 MAPT (0.48) MAPTRAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL5091542 0.76 MAPT (0.48) MAPTRAB9AKDM4ENPC1SMN1; 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-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 WO disclosed