SCHEMBL4241122

SCHEMBL4241122

CCC(C)CCCCCc1cc(N)n2ncnc2n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 2/20 0.34
MAPK1 P28482 2/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MBOAT4 Q96T53 4/20 0.32

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
SCHEMBL15063412 0.84 GAA (0.47) MEN1KMT2AGAAHTTSMN1; SMN2
SCHEMBL609545 0.75 KDM1A (0.44) MEN1KMT2AGAAHTTSMN1; SMN2
SCHEMBL8944396 0.69 GAA (0.47) MEN1KMT2AGAAHTTSMN1; SMN2
SCHEMBL8944104 0.69 GAA (0.47) MEN1KMT2AGAAHTTSMN1; SMN2
SCHEMBL6931619 0.69 GAA (0.47) MEN1KMT2AGAAHTTSMN1; SMN2
SCHEMBL8944210 0.69 GAA (0.47) MEN1KMT2AGAAHTTSMN1; SMN2
SCHEMBL8944077 0.69 GAA (0.47) MEN1KMT2AGAAHTTSMN1; SMN2
SCHEMBL8944026 0.69 GAA (0.47) MEN1KMT2AGAAHTTSMN1; SMN2
SCHEMBL8943987 0.69 GAA (0.47) MEN1KMT2AGAAHTTSMN1; SMN2
SCHEMBL8943929 0.69 GAA (0.47) MEN1KMT2AGAAHTTSMN1; SMN2

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
WO-2009124920-A2 EMULSIFIABLE CONCENTRATE BASF SE (DE) 2009-10-15 WO disclosed