SCHEMBL17459281

SCHEMBL17459281

CCN1Cc2ccccc2OC(c2ccc(Cl)s2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LTA4H P09960 3/20 0.32
TSHR P16473 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
NISCH Q9Y2I1 2/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL17459294 0.85 KDM4E (0.33) KDM4EMEN1KMT2ALTA4HTSHR
SCHEMBL17469033 0.85 TSHR (0.30) LTA4HTSHRSLC6A2SLC6A4SLC6A3
SCHEMBL17468925 0.84 POLB (0.40) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL17459363 0.84 SLC6A2 (0.42) TSHRSLC6A2SLC6A4SLC6A3PTGS2
SCHEMBL17459370 0.83 DRD4 (0.39) KDM4EALDH1A1MAPTALOX15CASP1
SCHEMBL17459364 0.80 SLC6A2 (0.41) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL17459293 0.79 SLC6A4 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL17459409 0.79 SLC6A2 (0.40) LTA4HSLC6A2SLC6A4SLC6A3
SCHEMBL17468345 0.78 MAOB (0.42) KDM4EALDH1A1HSD17B10LTA4HSLC6A2
SCHEMBL17469027 0.78 MAOB (0.42) KDM4EALDH1A1HSD17B10LTA4HSLC6A2

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
WO-2016012333-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-28 WO disclosed
WO-2016012333-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-28 WO disclosed