SCHEMBL11287336

SCHEMBL11287336

Cc1cc(CC(C)C)ccc1OCCNc1ncnc(C)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.35
AURKA O14965 1/20 0.35
KDM4E B2RXH2 3/20 0.33
GALR3 O60755 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
BRD4 O60885 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
ERBB4 Q15303 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3R1 P27986 1/20 0.33
MAPK1 P28482 1/20 0.33
STAT3 P40763 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
ITGB3 P05106 1/20 0.33

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
SCHEMBL11290174 0.90 KDM4E (0.36) CHRM4KDM4EGALR3MEN1KMT2A
SCHEMBL11290131 0.89 KDM4E (0.34) CHRM4KDM4EGALR3MEN1KMT2A
SCHEMBL11290159 0.89 SMN1; SMN2 (0.36) CHRM4KDM4EGALR3MEN1KMT2A
SCHEMBL11107034 0.87 PDE5A (0.38) CHRM4KDM4EGALR3MEN1KMT2A
SCHEMBL10376558 0.87 VDR (0.34) CHRM4KDM4EMEN1KMT2ABRD4
SCHEMBL11288029 0.87 KDM4E (0.36) KDM4EGALR3MEN1KMT2ABRD4
SCHEMBL10376504 0.85 SMN1; SMN2 (0.38) CHRM4KDM4EGALR3MEN1KMT2A
SCHEMBL11108006 0.85 MAPT (0.39) CHRM4KDM4EGALR3MEN1KMT2A
SCHEMBL10378009 0.84 S1PR2 (0.35) CHRM4KDM4EGALR3MEN1KMT2A
SCHEMBL10378110 0.84 SMN1; SMN2 (0.38) CHRM4KDM4EGALR3MEN1KMT2A

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-0057440-A1 Aminopyrimidine derivatives, processes for their preparation, and fungicidal, insecticidal and acaricidal compositions containing them SANKYO COMPANY LIMITED (JP) 1982-08-11 EP disclosed