SCHEMBL7709569

SCHEMBL7709569

CN(C=O)/C(N)=N\C1c2ccccc2Oc2ccc(-c3cccc(Cl)c3)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.35
HTR2A P28223 6/20 0.34
HTR2C P28335 6/20 0.34
PGR P06401 6/20 0.34
HRH1 P35367 4/20 0.34
ADRA2A P08913 3/20 0.34
DRD2 P14416 3/20 0.34
ADRA2C P18825 3/20 0.34
DRD1 P21728 3/20 0.34
DRD3 P35462 3/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
GABRA1 P14867 1/20 0.34
ADRA2B P18089 1/20 0.34
DRD4 P21917 1/20 0.34
SLC6A2 P23975 1/20 0.34
ADRA1D P25100 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34

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
SCHEMBL7710842 0.80 BACE1 (0.33) KCNH2
SCHEMBL7710635 0.76 PRMT6 (0.34)
SCHEMBL7705409 0.70 BACE1 (0.45) KCNH2
SCHEMBL16863586 0.64 AHR (0.54) TAAR1ESR2
SCHEMBL27771884 0.61 GABRA1 (0.34) HRH2HTR2AHTR2CPGRHRH1
SCHEMBL7960735 0.60 CYP19A1 (0.34)
SCHEMBL13474453 0.59 HTR2C (0.47) HRH2HTR2AHTR2CPGRHRH1
SCHEMBL10382223 0.59 HTR2A (0.39) HTR2AHTR2CPGRHRH1ADRA2A
SCHEMBL4923442 0.58 MAOA (0.66) HTR2AHTR2CHTR1AHTR2BHTR7
SCHEMBL23168533 0.58 ALOX5 (0.41) PGRTAAR1ESR2

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-2011130741-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-20 WO disclosed