SCHEMBL5085397

SCHEMBL5085397

COc1ccccc1-c1cc(Cl)c[c]c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 12/20 0.41
HTR1A P08908 11/20 0.41
HTR2B P41595 11/20 0.41
HTR5A P47898 10/20 0.41
HTR1D P28221 9/20 0.41
HTR1B P28222 9/20 0.41
HTR2A P28223 9/20 0.41
HTR6 P50406 7/20 0.41
HTR2C P28335 6/20 0.41
HTR1E P28566 6/20 0.41
HTR3A P46098 1/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
APP P05067 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
GCGR P47871 1/20 0.39
MAPK14 Q16539 1/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4432201 0.79 CETP (0.41) APPALDH1A1KDM4EHPGD
SCHEMBL5085400 0.76 HTR7 (0.47) HTR7HTR1AHTR2BHTR5AHTR1D
SCHEMBL15637636 0.76 APP (0.44) HTR7APPALDH1A1KDM4EHPGD
SCHEMBL27695180 0.75 TRPV4 (0.36) HSP90AA1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL29788337 0.72 CA1 (0.71) HTR7APPALDH1A1KDM4EHPGD
SCHEMBL301996 0.72 CA1 (0.71) HTR7APPALDH1A1KDM4EHPGD
SCHEMBL29429633 0.72 CA1 (0.71) HTR7APPALDH1A1KDM4EHPGD
SCHEMBL3664870 0.71 APP (0.40) HTR7HSP90AA1APPALDH1A1KDM4E
SCHEMBL3664873 0.71 APP (0.40) HTR7HSP90AA1APPALDH1A1KDM4E
SCHEMBL3643541 0.70 CA1 (0.67) HTR7APPALDH1A1KDM4EHPGD

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