SCHEMBL10697527

SCHEMBL10697527

Cc1nc(Nc2ccccc2)nc(C)c1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.48
PDE4D Q08499 1/20 0.48
KCNH3 Q9ULD8 4/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 2/20 0.47
MAPK1 P28482 2/20 0.47
NFKB1 P19838 1/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
NPC1 O15118 2/20 0.45
TP53 P04637 2/20 0.45
LMNA P02545 1/20 0.45
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL7054908 0.83 MAPT (0.46) KCNH3ALDH1A1MAPTMEN1KMT2A
SCHEMBL8961602 0.75 TAAR1 (0.56) KCNH3ALDH1A1MAPTMEN1KMT2A
SCHEMBL633400 0.73 MEN1 (0.77) KCNH3ALDH1A1MAPTMEN1KMT2A
SCHEMBL13641358 0.73 NPY5R (0.56) PDE4BPDE4DKCNH3ALDH1A1MAPT
SCHEMBL7057020 0.73 KCNH3 (0.50) PDE4BPDE4DKCNH3ALDH1A1MAPT
SCHEMBL11936604 0.72 MAPT (0.63) KCNH3ALDH1A1MAPTMEN1KMT2A
SCHEMBL115405 0.72 MAPT (0.57) KCNH3ALDH1A1MAPTMEN1KMT2A
SCHEMBL13074197 0.72 PDE4B (0.58) PDE4BPDE4DALDH1A1MAPTMEN1
SCHEMBL10099687 0.71 KCNH3 (0.74) KCNH3ALDH1A1MAPTMEN1KMT2A
SCHEMBL12436386 0.71 KCNH3 (0.74) KCNH3ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0270111-A1 Pyrimidine derivatives and agricultural or horticultural fungicidal composition contaning the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1988-06-08 EP disclosed