SCHEMBL7772051

SCHEMBL7772051

C=CCCNCCCCCCOc1ccc(C(C)(O)c2ccc(Br)cc2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LSS P48449 10/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
DRD4 P21917 2/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL21114120 0.85 KDM4E (0.40) LSSMEN1KMT2AKDM4EALDH1A1
SCHEMBL21113981 0.81 LSS (0.41) LSSMEN1KMT2AKDM4EALDH1A1
SCHEMBL7685790 0.81 LSS (0.64) LSSMEN1KMT2A
SCHEMBL7685786 0.81 LSS (0.64) LSSMEN1KMT2A
SCHEMBL7764181 0.80 KDM4E (0.39) LSSKDM4EALDH1A1DRD4DRD2
SCHEMBL7768887 0.79 KDM4E (0.39) LSSMEN1KMT2AKDM4EALDH1A1
SCHEMBL8045180 0.77 LSS (0.66) LSSMEN1KMT2AKDM4EALDH1A1
Fumaric Acid SCHEMBL7685326 0.77 LSS (0.69) LSSMEN1KMT2A
Fumaric Acid SCHEMBL7685337 0.77 LSS (0.69) LSSMEN1KMT2A
SCHEMBL21163136 0.75 LSS (0.43) LSSMEN1KMT2A

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-0778264-B1 Tertiary amines having antimycotic and cholesterol lowering activity HOFFMANN LA ROCHE (CH) 2001-07-11 EP claimed