SCHEMBL8779838

SCHEMBL8779838

CCN(O)c1ccccc1COc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTPRC P08575 1/20 0.41
PTPN1 P18031 1/20 0.41
FFAR1 O14842 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
TMPRSS6 Q8IU80 1/20 0.39
ST14 Q9Y5Y6 1/20 0.39
MAOB P27338 3/20 0.39
NR4A2 P43354 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNH2 Q12809 1/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 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
SCHEMBL3398396 0.76 GABRA1 (0.43) KDM4EL3MBTL1
SCHEMBL23506286 0.76 SMN1; SMN2 (0.44) KDM4ESMN1; SMN2PTPRCPTPN1F2
SCHEMBL9283940 0.74 SMN1; SMN2 (0.44) KDM4ESMN1; SMN2PTPRCPTPN1FFAR1
SCHEMBL931875 0.73 PTPRC (0.59) KDM4ESMN1; SMN2PTPRCPTPN1L3MBTL1
SCHEMBL12920460 0.72 PTPRC (0.55) KDM4ESMN1; SMN2PTPRCPTPN1F2
SCHEMBL9376376 0.71 NOX1 (0.59) SMN1; SMN2L3MBTL1MAOBNR4A2SLC6A2
SCHEMBL23506126 0.71 SMN1; SMN2 (0.47) KDM4ESMN1; SMN2PTPRCPTPN1FFAR1
SCHEMBL4779293 0.69 ABCB1 (0.62) FFAR1L3MBTL1MEN1KMT2ABCHE
SCHEMBL3266332 0.69 PTPRC (0.55) KDM4ESMN1; SMN2PTPRCPTPN1FFAR1
SCHEMBL18460957 0.69 KDM4E (0.50) KDM4ESMN1; SMN2PTPRCPTPN1F2

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-0777703-A2 DICYCLIC METAL COMPLEX FORMAZAN DERIVATIVES, PROCESS FOR PRODUCING THE SAME, COMPOSITION CONTAINING THE SAME AND DYEING PROCESS EMPLOYING THE SAME Kyungin Synthetic Corporation (KR) 1997-06-11 EP disclosed
WO-1996033240-A2 DICYCLIC METAL COMPLEX FORMAZAN DERIVATIVES, PROCESS FOR PRODUCING THE SAME, COMPOSITION CONTAINING THE SAME AND DYEING PROCESS EMPLOYING THE SAME KYUNG-IN SYNTHETIC CORPORATION (KR) 1996-10-24 WO disclosed