SCHEMBL8563281

SCHEMBL8563281

CSc1cc(OCc2ccccc2)nc(Oc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.42
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NR4A2 P43354 2/20 0.40
POLB P06746 1/20 0.40
CACNA1B Q00975 1/20 0.39
MAOB P27338 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 2/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
ADORA2A P29274 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL8667133 0.92 L3MBTL1 (0.42) MRGPRX4ALDH1A1L3MBTL1NR4A2POLB
SCHEMBL8565671 0.84 MRGPRX4 (0.46) MRGPRX4ALDH1A1L3MBTL1NR4A2POLB
SCHEMBL8563159 0.84 MRGPRX4 (0.46) MRGPRX4ALDH1A1L3MBTL1NR4A2POLB
SCHEMBL8565553 0.84 MRGPRX4 (0.45) MRGPRX4ALDH1A1L3MBTL1NR4A2POLB
SCHEMBL8667049 0.81 L3MBTL1 (0.41) MRGPRX4ALDH1A1L3MBTL1NR4A2POLB
SCHEMBL8557132 0.81 MRGPRX4 (0.46) MRGPRX4ALDH1A1L3MBTL1NR4A2POLB
SCHEMBL8508415 0.79 MAPT (0.52) MRGPRX4ALDH1A1L3MBTL1NR4A2POLB
SCHEMBL8773242 0.79 MAOB (0.48) MRGPRX4ALDH1A1L3MBTL1NR4A2POLB
SCHEMBL8558636 0.77 MAOB (0.45) ALDH1A1L3MBTL1POLBMAOBNPSR1
SCHEMBL8559269 0.77 MAPT (0.42) ALDH1A1L3MBTL1POLBCYP1A2CYP2C9

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
US-5726128-A Benzyloxypyrimidine derivative, processes for producing the same and herbicidal composition KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-03-10 US disclosed
EP-0707001-A1 Benzyloxypyrimidine derivative, processes for producing the same and herbicidal composition KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-04-17 EP disclosed