SCHEMBL8545122

SCHEMBL8545122

N#Cc1cc(OCc2ccsc2)nc(Oc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
GRM5 P41594 3/20 0.40
ALDH1A1 P00352 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.39
NTRK1 P04629 1/20 0.38
NR4A2 P43354 2/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
HSD17B10 Q99714 1/20 0.38
P2RY1 P47900 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
LOX P28300 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RECQL P46063 1/20 0.37
MAPT P10636 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL8545000 0.90 L3MBTL1 (0.47) POLBL3MBTL1ALDH1A1MRGPRX4NTRK1
SCHEMBL8773244 0.87 GRM5 (0.47) POLBL3MBTL1GRM5ALDH1A1MRGPRX4
SCHEMBL8550799 0.87 L3MBTL1 (0.45) POLBL3MBTL1ALDH1A1MRGPRX4NTRK1
SCHEMBL8546028 0.87 L3MBTL1 (0.45) POLBL3MBTL1ALDH1A1MRGPRX4NTRK1
SCHEMBL8547073 0.86 L3MBTL1 (0.48) POLBL3MBTL1ALDH1A1MRGPRX4NTRK1
SCHEMBL8546656 0.86 L3MBTL1 (0.45) POLBL3MBTL1ALDH1A1MRGPRX4NTRK1
SCHEMBL8545730 0.85 L3MBTL1 (0.44) POLBL3MBTL1ALDH1A1MRGPRX4NTRK1
SCHEMBL8550416 0.84 L3MBTL1 (0.43) POLBL3MBTL1ALDH1A1MRGPRX4NTRK1
SCHEMBL8550496 0.84 L3MBTL1 (0.43) POLBL3MBTL1ALDH1A1MRGPRX4NTRK1
SCHEMBL8773215 0.82 CYP1A2 (0.50) POLBL3MBTL1ALDH1A1P2RY1CYP1A2

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