SCHEMBL16215992

SCHEMBL16215992

CCc1sc(-c2ccc(Cl)cc2)nc1C1C(=O)C2CC[C@H](C2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
GAA P10253 1/20 0.38
PTGDR2 Q9Y5Y4 5/20 0.37
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 4/20 0.36
MAPT P10636 3/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
ALOX5 P09917 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 3/20 0.35
HTT P42858 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL608047 1.00 HRH3 (0.41) HRH3GAAPTGDR2ALDH1A1KDM4E
SCHEMBL10237937 1.00 HRH3 (0.41) HRH3GAAPTGDR2ALDH1A1KDM4E
SCHEMBL10238014 0.89 GLA (0.36) GAAPTGDR2ALDH1A1KDM4EMAPT
SCHEMBL10237957 0.88 PTGDR2 (0.37) HRH3PTGDR2ALDH1A1KDM4EMAPT
SCHEMBL10238117 0.88 DCK (0.42) PTGDR2KDM4EHPGDKMT2AMAPT
SCHEMBL10238114 0.88 L3MBTL1 (0.44) HRH3GAAPTGDR2ALDH1A1KDM4E
SCHEMBL10237945 0.87 SLC6A3 (0.37) ALDH1A1KDM4ECYP1A2HPGDCYP2C19
SCHEMBL10238159 0.87 L3MBTL1 (0.32) PTGDR2
SCHEMBL10238088 0.86 DCK (0.32) PTGDR2
SCHEMBL10237940 0.85 PDE3B (0.34) HRH3PTGDR2ALDH1A1KDM4EHPGD

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
EP-2176222-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2014-11-05 EP disclosed