SCHEMBL8561459

SCHEMBL8561459

CSc1nc(OCc2ccccc2)cc(C(F)(F)F)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ NUDT1 P36639 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ PPARG P37231 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.38
▸ BLM P54132 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
SCHEMBL8557424 0.80 KMT2A (0.61) PTGESALOX5NUDT1ALDH1A1KDM4E
SCHEMBL8562004 0.80 ALOX5 (0.46) PTGESALOX5NUDT1ALDH1A1SMN1; SMN2
SCHEMBL30638939 0.79 NUDT1 (0.42) ALOX5NUDT1ALDH1A1KDM4EGAA
SCHEMBL8561075 0.79 ALOX5 (0.48) PTGESALOX5NUDT1ALDH1A1SMN1; SMN2
SCHEMBL8558770 0.79 ALOX5 (0.48) PTGESALOX5NUDT1SMN1; SMN2ADORA3
SCHEMBL3875774 0.78 LMNA (0.46) ALDH1A1KDM4EHPGDL3MBTL1MAPK14
SCHEMBL20985735 0.78 MAPT (0.51) ALDH1A1KDM4EHPGDSMN1; SMN2MAPK1
SCHEMBL22767478 0.78 SMN1; SMN2 (0.45) PTGESALOX5NUDT1ALDH1A1HPGD
SCHEMBL8560362 0.76 SDHB (0.56) ALDH1A1KDM4EHPGDSMN1; SMN2MAPK1
SCHEMBL10698921 0.75 GAA (0.47) ALDH1A1KDM4EHPGDSMN1; SMN2ADORA1

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
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