SCHEMBL4302176

SCHEMBL4302176

CC(=O)c1ccc2nc(C(=O)O)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.53
CYP2A6 P11509 1/20 0.47
ALDH1A1 P00352 3/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
SCN7A Q01118 1/20 0.44
KCNH2 Q12809 1/20 0.44
SCN9A Q15858 1/20 0.44
HSD17B14 Q9BPX1 2/20 0.43
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 3/20 0.42
CNR2 P34972 2/20 0.41
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.40
PDE4B Q07343 1/20 0.40
SLC2A1 P11166 1/20 0.40
ALOX15 P16050 2/20 0.39
TSHR P16473 2/20 0.39
ACMSD Q8TDX5 1/20 0.39

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
SCHEMBL69982 0.87 MGAM (0.58) MGAMALDH1A1MAPTHPGDHSD17B14
SCHEMBL15484343 0.86 MGAM (0.56) MGAMALDH1A1MAPTHPGDHSD17B14
SCHEMBL18077323 0.85 SCN7A (0.46) CYP2A6ALDH1A1MAPTHPGDSCN7A
SCHEMBL1644188 0.85 CYP2A6 (0.46) CYP2A6ALDH1A1MAPTHPGDSCN7A
SCHEMBL31017201 0.82 HTT (0.57) MGAMALDH1A1MAPTGAATDP1
SCHEMBL21290591 0.80 TDP1 (0.47) MGAMALDH1A1MAPTHPGDHSD17B14
SCHEMBL31201668 0.79 NPC1 (0.55) CYP2A6ALDH1A1MAPTHPGDKMT2A
SCHEMBL5095477 0.79 NPC1 (0.55) CYP2A6ALDH1A1MAPTHPGDKMT2A
SCHEMBL6194060 0.79 MEN1 (0.57) MGAMCYP2A6ALDH1A1MAPTHPGD
SCHEMBL1645117 0.77 CYP2A6 (0.53) CYP2A6ALDH1A1MAPTHPGDSCN7A

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-2024272-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2009-02-18 EP claimed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO claimed