SCHEMBL6494993

SCHEMBL6494993

CC(C)(C)N(Cc1ccccc1NC(=O)C(=O)Nc1ccc(-c2cnco2)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 11/20 0.56
IMPDH1 P20839 7/20 0.56
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 2/20 0.50
PKM P14618 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
PORCN Q9H237 1/20 0.46
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
AAK1 Q2M2I8 1/20 0.43
POLB P06746 1/20 0.40
JAK3 P52333 1/20 0.40

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
SCHEMBL6484655 0.87 IMPDH2 (0.64) IMPDH2IMPDH1NPC1RAB9AKDM4E
SCHEMBL6485457 0.83 IMPDH2 (0.56) IMPDH2IMPDH1NPC1RAB9AKDM4E
SCHEMBL7543123 0.80 NPC1 (0.56) IMPDH2IMPDH1NPC1RAB9AKDM4E
SCHEMBL27561214 0.78 IMPDH2 (0.64) IMPDH2IMPDH1NPC1RAB9AKDM4E
SCHEMBL6497151 0.73 IMPDH2 (1.00) IMPDH2IMPDH1NPC1RAB9AKDM4E
SCHEMBL14027190 0.70 KMT2A (0.76) IMPDH2IMPDH1NPC1RAB9AKDM4E
SCHEMBL6493937 0.70 IMPDH2 (0.52) IMPDH2IMPDH1NPC1RAB9AKDM4E
SCHEMBL6485360 0.69 IMPDH2 (0.68) IMPDH2IMPDH1AAK1
SCHEMBL15742655 0.69 PORCN (0.58) IMPDH2IMPDH1NPC1RAB9AKDM4E
SCHEMBL5913093 0.69 MEN1 (0.44) NPC1RAB9AKDM4EALDH1A1LMNA

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