SCHEMBL7686045

SCHEMBL7686045

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 3/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PLK1 P53350 1/20 0.40
NPC1 O15118 1/20 0.38
ALOX12 P18054 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LCK P06239 1/20 0.38

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
SCHEMBL7679306 0.94 ALDH1A1 (0.40) HPGDALDH1A1L3MBTL1HTTTP53
SCHEMBL7682836 0.85 KDM4E (0.39) HPGDALDH1A1MAPTKDM4EMEN1
SCHEMBL7677586 0.85 HTT (0.41) HPGDSAE1UBA2ALDH1A1L3MBTL1
SCHEMBL7677603 0.84 ALDH1A1 (0.42) HPGDALDH1A1LMNATP53MAPT
SCHEMBL7676322 0.84 HTT (0.40) HPGDSAE1UBA2ALDH1A1L3MBTL1
SCHEMBL7684280 0.84 CNR1 (0.43) NPC1CNR1CNR2
SCHEMBL7682078 0.83 ALDH1A1 (0.42) HPGDALDH1A1LMNATP53MAPT
SCHEMBL7681399 0.83 GRM5 (0.40) HPGDALDH1A1TP53KDM4EMEN1
SCHEMBL7683185 0.82 ALDH1A1 (0.41) HPGDALDH1A1L3MBTL1HTTLMNA
SCHEMBL7460958 0.80 GAA (0.40) HPGDALDH1A1HTTTP53MAPT

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