SCHEMBL7767787

SCHEMBL7767787

C=CCCNCC=CCOc1cc(F)c(C(=O)c2ccc(Br)cc2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LSS P48449 13/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
PPARD Q03181 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL8035846 0.88 LSS (0.43) LSSMEN1KMT2AKDM4ELMNA
SCHEMBL8035571 0.86 LSS (0.52) LSSMEN1KMT2AKDM4E
SCHEMBL7771989 0.83 LSS (0.48) LSSMEN1KMT2AKDM4ELMNA
SCHEMBL3669374 0.82 LSS (0.44) LSSMEN1KMT2AKDM4ELMNA
SCHEMBL8047705 0.82 PPARD (0.38) LSSKDM4ELMNAPPARDMAPK1
SCHEMBL7688254 0.81 LSS (0.39) LSSMEN1KMT2APPARDMAPK1
SCHEMBL7688257 0.81 LSS (0.39) LSSMEN1KMT2APPARDMAPK1
SCHEMBL8035630 0.80 LSS (0.60) LSSMEN1KMT2ALMNAPPARD
SCHEMBL7688154 0.79 LSS (0.52) LSSMEN1KMT2A
SCHEMBL7771940 0.79 LSS (0.52) 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