SCHEMBL7679306

SCHEMBL7679306

CCCNC(=O)c1nc(C)ccc1C(=O)Nc1cccc(Cl)c1C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 2/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTGES O14684 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
RXFP1 Q9HBX9 2/20 0.37

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
SCHEMBL7686045 0.94 HPGD (0.44) ALDH1A1KDM4ENPC1HPGDALOX12
SCHEMBL7677603 0.90 ALDH1A1 (0.42) ALDH1A1GAAKDM4ENPC1HPGD
SCHEMBL7683185 0.88 ALDH1A1 (0.41) ALDH1A1GAAKDM4ENPC1HPGD
SCHEMBL7682836 0.87 KDM4E (0.39) ALDH1A1KDM4ENPC1HPGDALOX12
SCHEMBL7460958 0.85 GAA (0.40) ALDH1A1GAAKDM4ENPC1HPGD
SCHEMBL7684280 0.85 CNR1 (0.43) NPC1
SCHEMBL7682078 0.85 ALDH1A1 (0.42) ALDH1A1GAAKDM4ENPC1HPGD
SCHEMBL7681399 0.84 GRM5 (0.40) ALDH1A1GAAKDM4ENPC1HPGD
SCHEMBL7683047 0.84 PDE4A (0.38) ALDH1A1KDM4EHPGDPOLBKMT2A
SCHEMBL7683507 0.83 PDE4B (0.38) ALDH1A1KDM4EHPGDPOLBKMT2A

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