SCHEMBL9408804

SCHEMBL9408804

O=C(O)C(=O)NCc1cccc(-n2nc3ccccc3n2)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETDB1 Q15047 1/20 0.36
CACNA1G O43497 2/20 0.36
CACNA1H O95180 2/20 0.36
CACNA1I Q9P0X4 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 3/20 0.34
POLB P06746 2/20 0.34
FABP3 P05413 1/20 0.34
FABP4 P15090 1/20 0.34
LIPG Q9Y5X9 2/20 0.34
HPGD P15428 2/20 0.33
TTR P02766 1/20 0.33
ASAH1 Q13510 1/20 0.33
BCHE P06276 1/20 0.33
PIM1 P11309 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL9408922 0.93 SETDB1 (0.39) SETDB1CACNA1GCACNA1HCACNA1ISMN1; SMN2
SCHEMBL9408880 0.88 SETDB1 (0.36) SETDB1CACNA1GCACNA1HCACNA1ISMN1; SMN2
SCHEMBL346033 0.86 SETDB1 (0.40) SETDB1CACNA1GCACNA1HCACNA1ISMN1; SMN2
SCHEMBL9408822 0.83 RAB9A (0.52) SETDB1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL5339907 0.82 TGM2 (0.40) SETDB1CACNA1GCACNA1HCACNA1ISMN1; SMN2
SCHEMBL13121650 0.77 GABRA1 (0.52) SMN1; SMN2NPC1RAB9ALMNAKDM4E
SCHEMBL9175550 0.77 NPC1 (0.44) SMN1; SMN2NPC1RAB9ALMNAKDM4E
SCHEMBL9408778 0.75 NPC1 (0.56) SETDB1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2223774 0.75 NPC1 (0.43) SMN1; SMN2NPC1RAB9ALMNAKDM4E
SCHEMBL14324405 0.75 BCL2 (0.41) NPC1RAB9ALMNAKDM4EHPGD

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
EP-0593936-A1 N-[2-hydroxy-3-(2H-benzotriazol-2-yl)benzyl]oxamides as light stabilisers ELF ATOCHEM NORTH AMERICA, INC. (US) 1994-04-27 EP disclosed