SCHEMBL1239643

SCHEMBL1239643

CCN(C(=O)c1csc(C2CCN(C(=O)Cn3nc(C(F)(F)F)cc3C)CC2)n1)C1CCCc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
CCR1 P32246 1/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 2/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
SPR P35270 1/20 0.33
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 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
SCHEMBL122901 0.92 GAA (0.40) GAACCR1KDM4EPOLBTSHR
SCHEMBL29419093 0.92 GAA (0.40) GAACCR1KDM4EPOLBTSHR
SCHEMBL29419132 0.92 GAA (0.40) GAACCR1KDM4EPOLBTSHR
SCHEMBL29419078 0.92 GAA (0.40) GAACCR1KDM4EPOLBTSHR
SCHEMBL169067 0.92 GAA (0.40) GAACCR1KDM4EPOLBTSHR
SCHEMBL231822 0.92 GAA (0.40) GAACCR1KDM4EPOLBTSHR
SCHEMBL4623412 0.88 GAA (0.39) GAACCR1KDM4EPOLBTSHR
SCHEMBL776596 0.88 GAA (0.39) GAACCR1KDM4EPOLBTSHR
SCHEMBL775325 0.88 GAA (0.40) GAACCR1KDM4EPOLBTSHR
SCHEMBL774299 0.86 KMT2A (0.38) GAASMN1; SMN2SPRMEN1KMT2A

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
EP-2467367-A1 3-TRIAZOLYLPHENYL-SUBSTITUTED SULFIDE DERIVATIVES FOR USE AS ACARICIDES AND INSECTICIDES Bayer CropScience AG (DE) 2012-06-27 EP disclosed
WO-2011020567-A1 3-TRIAZOLYLPHENYL-SUBSTITUTED SULFIDE DERIVATIVES FOR USE AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2011-02-24 WO disclosed