SCHEMBL27433674

SCHEMBL27433674

CCOC(=O)c1nnc(C)n1-c1c(Cl)ccc2nc(OC)c(OC)nc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
DYRK1A Q13627 4/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.35
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
GAA P10253 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
PDE2A O00408 1/20 0.35
PDE10A Q9Y233 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL27434412 0.87 PDE2A (0.44) MAPTALDH1A1NPSR1POLBHTT
SCHEMBL7683018 0.86 POLB (0.40) MAPTALDH1A1NPSR1DYRK1APOLB
SCHEMBL27410461 0.84 ACHE (0.41) MAPTALDH1A1NPSR1POLBHTT
SCHEMBL27435510 0.82 DYRK1A (0.35) MAPTALDH1A1NPSR1DYRK1APOLB
SCHEMBL27413423 0.79 TLR8 (0.34) PDE2APDE10AKMT2A
SCHEMBL27541048 0.77 MEN1 (0.33) PDE2APDE10AKMT2A
SCHEMBL7682502 0.75 PDE2A (0.43) MAPTALDH1A1NPSR1POLBHTT
SCHEMBL27562188 0.72 CYP19A1 (0.37) ALDH1A1TP53HTTKMT2AKDM4E
SCHEMBL7682046 0.71 POLB (0.37) MAPTALDH1A1NPSR1DYRK1APOLB
SCHEMBL7678787 0.70 HPGD (0.34) MAPTALDH1A1NPSR1DYRK1APOLB

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
CN-1103770-C Quinoxalinediones PFIZER RES AND DEV CO N V S A (IE) 2003-03-26 CN disclosed
CN-1213369-A Quinoxalinedione compound PFIZER RES & DEV (IE) 1999-04-07 CN disclosed