SCHEMBL8551819

SCHEMBL8551819

Clc1cccc(OCc2ccsc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
GRM5 P41594 2/20 0.38
DRD4 P21917 1/20 0.38
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP3 Q9Y6F1 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL8551486 0.80 GRM5 (0.43) GRM5PARP15PARP10PARP3GABRA1
SCHEMBL229009 0.78 GRM5 (0.46) CYP11B1CYP11B2HDAC1HDAC6HDAC5
SCHEMBL29518247 0.78 GRM5 (0.46) CYP11B1CYP11B2HDAC1HDAC6HDAC5
SCHEMBL8546425 0.78 GRM5 (0.42) GRM5PARP15PARP10PARP3GABRA1
SCHEMBL8549282 0.76 PARP15 (0.39) GRM5PARP15PARP10PARP3NPC1
SCHEMBL8546508 0.75 GRM5 (0.38) GRM5PARP15PARP10PARP3NPC1
SCHEMBL8547120 0.75 GRM5 (0.38) GRM5PARP15PARP10PARP3GABRA1
SCHEMBL8546238 0.75 GRM5 (0.64) CYP11B1CYP11B2GRM5PARP15PARP10
SCHEMBL8549682 0.75 GRM5 (0.37) HDAC1HDAC6HDAC5GRM5PARP15
SCHEMBL8550364 0.75 GRM5 (0.38) GRM5PARP15PARP10PARP3HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0693490-B1 2-Phenoxy-6-thienylmethyloxypyridine derivative, process for producing the same, and herbicidal composition KUREHA CHEMICAL IND CO LTD (JP) 1998-09-09 EP disclosed
US-5624942-A 2-phenoxy-6-thienylmethyloxypyridine derivative and herbicidal composition containing same KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1997-04-29 US disclosed
EP-0693490-A1 2-Phenoxy-6-thienylmethyloxypyridine derivative, process for producing the same, and herbicidal composition KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-01-24 EP disclosed