SCHEMBL7684146

SCHEMBL7684146

CCC(C)NC(=O)c1nc(C)ccc1C(=O)Nc1c(C)ccc(Br)c1C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
GRM5 P41594 1/20 0.34
GRM1 Q13255 1/20 0.34
STAT3 P40763 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RAB9A P51151 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
F2 P00734 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32

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
SCHEMBL7684669 0.91 MAPT (0.34) MAPTTP53GRM5GRM1STAT3
SCHEMBL7685879 0.91 MAPT (0.34) MAPTGRM5KMT2AALDH1A1L3MBTL1
SCHEMBL7682639 0.89 ALDH1A1 (0.38) MAPTTP53GRM5GRM1STAT3
SCHEMBL7677560 0.86 GRM5 (0.35) MAPTTP53GRM5GRM1KMT2A
SCHEMBL7685639 0.85 ALDH1A1 (0.36) MAPTTP53KMT2AMEN1ALDH1A1
SCHEMBL7679294 0.84 ALDH1A1 (0.34) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL7679448 0.84 SMN1; SMN2 (0.33) MAPTGRM5KMT2AMEN1ALDH1A1
SCHEMBL7682616 0.83 ALDH1A1 (0.39) TP53ALDH1A1HTTL3MBTL1TSHR
SCHEMBL7685899 0.80 ALDH1A1 (0.37) MAPTTP53GRM5GRM1STAT3
SCHEMBL7686030 0.80 PTGS2 (0.35) MAPTKMT2AMEN1ALDH1A1HTT

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-6472349-B1 Pyridine-2,3-dicarboxylic acid diamides BASF AKTIENGESELLSCHAFT (DE) 2002-10-29 US claimed