SCHEMBL5089892

SCHEMBL5089892

COc1ccccc1-c1cc(Cl)[c]cc1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.45
PGR P06401 2/20 0.45
HTR7 P34969 3/20 0.41
HTR1A P08908 3/20 0.41
HTR2C P28335 3/20 0.41
HTR2B P41595 3/20 0.41
HTR1D P28221 2/20 0.41
HTR1B P28222 2/20 0.41
HTR2A P28223 2/20 0.41
HTR1E P28566 2/20 0.41
HTR5A P47898 2/20 0.41
HTR6 P50406 2/20 0.41
KCNN4 O15554 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
IMPDH2 P12268 1/20 0.40
IMPDH1 P20839 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39

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
SCHEMBL2224757 0.76 AR (0.46) ARPGRHTR7KCNN4MAOA
SCHEMBL1133173 0.74 KCNN4 (0.54) ARPGRHTR7KCNN4MAOA
SCHEMBL5089888 0.74 HTR7 (0.41) ARPGRHTR7HTR1AHTR2C
SCHEMBL10553504 0.71 PTPRC (0.47) ARPGRHTR7
SCHEMBL8802694 0.70 KDM4E (0.48) ARPGRHTR7KCNN4KDM4E
SCHEMBL5555757 0.70 PGR (0.46) ARPGRKCNN4MAOAMAOB
SCHEMBL15064114 0.69 PTPRC (0.45) ARPGRHTR7KDM4EALDH1A1
SCHEMBL7575602 0.69 KCNN4 (0.49) ARPGRKCNN4MAOAMAOB
SCHEMBL2224755 0.69 AR (0.45) ARPGRKCNN4MAOAMAOB
SCHEMBL8485156 0.69 PGR (0.44) ARPGRKCNN4MAOAMAOB

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-2008091594-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed