SCHEMBL4746059

SCHEMBL4746059

O=C(O)c1c(N2C=CCC2)ccc2c1Cc1ccccc1O2

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ACSL1 P33121 1/20 0.34
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31
P2RX4 Q99571 2/20 0.31
GSR P00390 1/20 0.30
MAPKAPK2 P49137 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 1/20 0.30
THPO P40225 1/20 0.30
PMP22 Q01453 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4746981 0.79 POLB (0.42) MAOAMAOBACSL1P2RX4ALDH1A1
SCHEMBL4742922 0.77 HTR6 (0.41) MAOAMAOBHTR2AALDH1A1
SCHEMBL4742904 0.75 MAOA (0.36) MAOAMAOBACSL1P2RX4GSR
SCHEMBL83906 0.74 MAOA (0.48) MAOAMAOBACSL1GSRMAPKAPK2
SCHEMBL4298022 0.72 MAOA (0.47) MAOAMAOBACSL1GSRMAPKAPK2
SCHEMBL1672256 0.72 MAOA (0.47) MAOAMAOBACSL1GSRMAPKAPK2
SCHEMBL2313646 0.71 MAOA (0.46) MAOAMAOBACSL1GSRMAPKAPK2
SCHEMBL11506362 0.71 MAOA (0.46) MAOAMAOBACSL1GSRMAPKAPK2
Potassium SCHEMBL4602990 0.70 MAOA (0.44) MAOAMAOBACSL1GSRMAPKAPK2
SCHEMBL16563060 0.70 MAOA (0.44) MAOAMAOBACSL1GSRMAPKAPK2

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
WO-2008113814-A1 ORGANIC MOLYBDENUM COMPOUNDS, USE THEREOF AS FRICTION- MODIFIERS AND LUBRICATING COMPOSITIONS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2008-09-25 WO disclosed