SCHEMBL6486557

SCHEMBL6486557

NC(=O)OCc1cccc(NC(=O)C(=O)Nc2ccc(-c3cnco3)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 11/20 0.54
IMPDH1 P20839 5/20 0.52
NPC1 O15118 4/20 0.48
RAB9A P51151 3/20 0.48
KDM4E B2RXH2 3/20 0.48
PKM P14618 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
PORCN Q9H237 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
AAK1 Q2M2I8 2/20 0.46
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 0.41

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
SCHEMBL27542606 0.85 IMPDH2 (0.64) IMPDH2IMPDH1NPC1RAB9AKDM4E
SCHEMBL6486382 0.84 IMPDH2 (0.70) IMPDH2IMPDH1AAK1
SCHEMBL6499362 0.81 IMPDH2 (0.59) IMPDH2IMPDH1NPC1RAB9AKDM4E
Trifluoroacetic Acid SCHEMBL27561206 0.80 IMPDH2 (0.53) IMPDH2IMPDH1NPC1RAB9AKDM4E
SCHEMBL6493937 0.77 IMPDH2 (0.52) IMPDH2IMPDH1NPC1RAB9AKDM4E
SCHEMBL6485457 0.76 IMPDH2 (0.56) IMPDH2IMPDH1NPC1RAB9AKDM4E
SCHEMBL27561207 0.75 IMPDH2 (0.67) IMPDH2IMPDH1NPC1RAB9AKDM4E
SCHEMBL27571122 0.74 IMPDH2 (0.71) IMPDH2IMPDH1NPC1RAB9AKDM4E
SCHEMBL7552277 0.71 IMPDH2 (0.60) IMPDH2IMPDH1NPC1RAB9AKDM4E
SCHEMBL14267693 0.71 IMPDH2 (1.00) IMPDH2IMPDH1NPC1RAB9AKDM4E

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-6867299-B2 Inosine monophosphate dehydrogenase (IMPDH); use as immunosuppressants, anticancer agents and antiviral agents HOFFMANN-LA ROCHE INC. (US) 2005-03-15 US disclosed