SCHEMBL5089888

SCHEMBL5089888

COc1ccccc1-c1cc(C#N)c[c]c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 8/20 0.41
HTR1A P08908 8/20 0.41
HTR2B P41595 8/20 0.41
HTR5A P47898 7/20 0.41
HTR1D P28221 6/20 0.41
HTR1B P28222 6/20 0.41
HTR2A P28223 6/20 0.41
HTR6 P50406 6/20 0.41
HTR2C P28335 5/20 0.41
HTR1E P28566 4/20 0.41
AR P10275 3/20 0.40
PGR P06401 1/20 0.39
STK10 O94804 1/20 0.39
CLK2 P49760 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
SLK Q9H2G2 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 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
SCHEMBL5089892 0.74 AR (0.45) HTR7HTR1AHTR2BHTR5AHTR1D
SCHEMBL11460691 0.72 APP (0.44) HTR7HTR1AHTR2BHTR5AHTR1D
SCHEMBL8802694 0.70 KDM4E (0.48) HTR7ARPGRKDM4EALDH1A1
SCHEMBL30870726 0.69 AR (0.49) HTR7ARPGRSTK10CLK2
SCHEMBL1436484 0.68 FYN (0.56) HTR7ARPGRSQOR
SCHEMBL8107730 0.68 APP (0.41) HTR7ARPGRKDM4EALDH1A1
SCHEMBL9469524 0.68 HTR7 (0.55) HTR7ARPGRSTK10CLK2
SCHEMBL301996 0.68 CA1 (0.71) HTR7KDM4EALDH1A1HPGDTSHR
SCHEMBL1133173 0.68 KCNN4 (0.54) HTR7ARPGRKDM4EALDH1A1
SCHEMBL29788337 0.68 CA1 (0.71) HTR7KDM4EALDH1A1HPGDTSHR

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