SCHEMBL8666887

SCHEMBL8666887

CSc1nc(I)cc(Oc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.47
PDGFRB P09619 1/20 0.46
KIT P10721 1/20 0.46
PDGFRA P16234 1/20 0.46
CDK11B P21127 1/20 0.46
FLT3 P36888 1/20 0.46
CDKL2 Q92772 1/20 0.46
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39

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
SCHEMBL8667374 0.86 MAPT (0.48) MAPTMEN1KMT2AHTTPDGFRB
SCHEMBL8672947 0.85 MAPT (0.50) MAPTMEN1KMT2AHTTPDGFRB
SCHEMBL8664642 0.85 MAPT (0.47) MAPTMEN1KMT2AHTTPDGFRB
SCHEMBL8664737 0.82 MAPK1 (0.51) MAPTMEN1KMT2AHTTPDGFRB
SCHEMBL8720486 0.82 MAPT (0.46) MAPTMEN1KMT2AHTTPDGFRB
SCHEMBL8668427 0.81 GAA (0.51) MAPTMEN1KMT2AHTTPDGFRB
Alcohol SCHEMBL8967021 0.80 MAPK1 (0.48) MAPTMEN1KMT2AHTTPDGFRB
SCHEMBL8965960 0.80 MAPT (0.46) MAPTMEN1KMT2AHTTPDGFRB
SCHEMBL8507551 0.80 MAPT (0.52) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL8666413 0.78 ALDH1A1 (0.52) MAPTMEN1KMT2AALDH1A1L3MBTL1

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-5723412-A HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-03-03 US disclosed
EP-0694538-A2 2-benzyloxy-4-phenoxypyrimidine derivative, processes for producing the derivative and herbicidal composition containing the derivative KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-01-31 EP disclosed