SCHEMBL8760830

SCHEMBL8760830

C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2F)cc1

nearest known ligand 0.89

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LSS P48449 20/20 0.89
MEN1 O00255 1/20 0.89
KMT2A Q03164 1/20 0.89

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
Fumaric Acid SCHEMBL12477423 0.96 LSS (0.90) LSSMEN1KMT2A
SCHEMBL3674881 0.94 LSS (1.00) LSSMEN1KMT2A
Bromide SCHEMBL7685880 0.93 LSS (0.98) LSSMEN1KMT2A
Fumaric Acid SCHEMBL29455114 0.91 LSS (1.00) LSSMEN1KMT2A
Fumaric Acid SCHEMBL3189902 0.91 LSS (1.00) LSSMEN1KMT2A
Fumaric Acid SCHEMBL4437311 0.91 LSS (1.00) LSSMEN1KMT2A
SCHEMBL21114026 0.87 LSS (0.84) LSSMEN1KMT2A
SCHEMBL3811386 0.86 LSS (1.00) LSSMEN1KMT2A
SCHEMBL2131185 0.86 LSS (1.00) LSSMEN1KMT2A
SCHEMBL7681230 0.86 LSS (0.80) 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-0778271-A2 Aminoalkyl-substituted benzo-heterocyclic compounds F. HOFFMANN-LA ROCHE AG (CH) 1997-06-11 EP disclosed