SCHEMBL7217084

SCHEMBL7217084

C=CCN(C)CCCCCc1ccc2c(c1)CC(C(=O)S)N2

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LSS P48449 19/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL7218488 0.91 GAA (0.40) LSSMEN1KMT2A
SCHEMBL7217087 0.87 LSS (0.35) LSS
SCHEMBL7218485 0.86 LSS (0.36) LSSMEN1KMT2A
SCHEMBL7218501 0.86 LSS (0.45) LSS
SCHEMBL7218473 0.85 LSS (0.41) LSSMEN1KMT2A
SCHEMBL7212168 0.85 LSS (0.47) LSSMEN1KMT2A
SCHEMBL7218497 0.85 LSS (0.47) LSSMEN1KMT2A
SCHEMBL7218354 0.83 HDAC8 (0.35) LSSMEN1KMT2A
SCHEMBL7218464 0.82 LSS (0.41) LSSMEN1KMT2A
SCHEMBL7213266 0.82 LSS (0.35) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1358162-A1 DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 EP disclosed
WO-2002050041-A1 DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-27 WO disclosed