SCHEMBL4742904

SCHEMBL4742904

O=C(O)c1c(N2CCCN2)ccc2c1Cc1ccccc1O2

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ACSL1 P33121 1/20 0.33
P2RX4 Q99571 2/20 0.33
GSR P00390 1/20 0.32
ALOX5 P09917 2/20 0.31
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
MAPKAPK2 P49137 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
SCHEMBL4742922 0.83 HTR6 (0.41) MAOAMAOBUSP2ALDH1A1TSHR
SCHEMBL4746981 0.81 POLB (0.42) MAOAMAOBACSL1P2RX4ALDH1A1
SCHEMBL4746059 0.75 MAOA (0.37) MAOAMAOBACSL1P2RX4GSR
SCHEMBL83906 0.73 MAOA (0.48) MAOAMAOBACSL1GSRALOX5
SCHEMBL1672256 0.72 MAOA (0.47) MAOAMAOBACSL1GSRALOX5
SCHEMBL4298022 0.72 MAOA (0.47) MAOAMAOBACSL1GSRALOX5
SCHEMBL4742298 0.71 POLB (0.30)
SCHEMBL2313646 0.71 MAOA (0.46) MAOAMAOBACSL1GSRALOX5
SCHEMBL11506362 0.71 MAOA (0.46) MAOAMAOBACSL1GSRALOX5
SCHEMBL16563060 0.70 MAOA (0.44) MAOAMAOBACSL1GSRALOX5

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