SCHEMBL8815928

SCHEMBL8815928

Clc1cccc2c1Oc1ccccc1C2

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
AHR P35869 5/20 0.57
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ACSL1 P33121 1/20 0.34
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31

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
SCHEMBL8814957 0.86 AHR (0.45) MAOAMAOBAHRNPSR1LMNA
SCHEMBL13777196 0.81 MAOA (0.73) MAOAMAOBAHRGAANPSR1
SCHEMBL9185283 0.77 MAOA (0.59) MAOAMAOBAHRGAANPSR1
SCHEMBL11813909 0.77 MAOA (0.59) MAOAMAOBAHRGAANPSR1
SCHEMBL11811867 0.77 MAOA (0.59) MAOAMAOBAHRGAANPSR1
SCHEMBL8814941 0.77 MAOA (0.59) MAOAMAOBAHRGAANPSR1
SCHEMBL1672615 0.77 MAOA (0.59) MAOAMAOBAHRGAANPSR1
SCHEMBL5094900 0.77 MAOA (0.59) MAOAMAOBAHRGAANPSR1
SCHEMBL20984959 0.77 MAOA (0.59) MAOAMAOBAHRGAANPSR1
SCHEMBL4669601 0.77 MAOA (0.59) MAOAMAOBAHRGAANPSR1

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-1997006178-A1 PYRIMIDINE NUCLEOSIDES F. HOFFMANN-LA ROCHE AG (CH) 1997-02-20 WO disclosed
US-3948949-A ANTIPHOLISTIC MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER (DT) 1976-04-06 US disclosed