SCHEMBL9682833

SCHEMBL9682833

C(=NCCN=Cc1nccc(OCc2ccccc2)c1OCc1ccccc1)c1nccc(OCc2ccccc2)c1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.41
LTA4H P09960 1/20 0.41
MAPK14 Q16539 1/20 0.41
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ABCB1 P08183 1/20 0.38
GAA P10253 2/20 0.36
HPGD P15428 1/20 0.36
HTR1A P08908 1/20 0.36

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
SCHEMBL9682829 1.00 BCHE (0.41) BCHELTA4HMAPK14RAB9ASMN1; SMN2
SCHEMBL9682277 0.92 HTR1A (0.42) BCHELTA4HMAPK14RAB9ASMN1; SMN2
SCHEMBL4903979 0.81 MAPT (0.46) LTA4HMAPK14RAB9ASMN1; SMN2NPC1
SCHEMBL7720531 0.73 LTA4H (0.49) LTA4HMAPK14SMN1; SMN2MAPTL3MBTL1
SCHEMBL16740382 0.73 RAB9A (0.40) BCHERAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL16740381 0.73 RAB9A (0.40) BCHERAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL4898749 0.72 L3MBTL1 (0.53) LTA4HMAPK14SMN1; SMN2MAPTL3MBTL1
SCHEMBL4157654 0.72 ABCB1 (0.49) BCHELTA4HRAB9ASMN1; SMN2NPC1
SCHEMBL9703060 0.72 ALDH1A1 (0.34) BCHELTA4HMAPK14RAB9ASMN1; SMN2
SCHEMBL4688019 0.71 HTR1A (0.43) LTA4HMAPK14RAB9ASMN1; SMN2NPC1

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
WO-1992013841-A1 COMPLEXING AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1992-08-20 WO disclosed
EP-0498380-A1 Complexing agents BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1992-08-12 EP disclosed