SCHEMBL3368366

SCHEMBL3368366

C=CCN(C)CCCCCCOc1ccc(N(C)C(=S)NCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LSS P48449 12/20 0.58
LTA4H P09960 1/20 0.43
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL3367009 0.91 LSS (0.49) LSSMEN1KMT2A
SCHEMBL3368204 0.91 LSS (0.49) LSSALDH1A1MEN1KMT2A
SCHEMBL3365080 0.90 LSS (0.48) LSSMEN1KMT2A
SCHEMBL3367117 0.90 LSS (0.60) LSSLTA4HMEN1KMT2A
SCHEMBL3368392 0.90 LSS (0.56) LSSLTA4HMEN1KMT2A
SCHEMBL3368101 0.89 LSS (0.55) LSSLTA4HALDH1A1
SCHEMBL3367108 0.87 LSS (0.59) LSSALDH1A1MEN1KMT2A
SCHEMBL3364796 0.86 LSS (0.55) LSSMEN1KMT2A
SCHEMBL3364874 0.84 LSS (0.49) LSSALDH1A1MEN1KMT2A
SCHEMBL3365207 0.84 LSS (0.45) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303503-B1 ANILINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-01-27 EP disclosed
EP-1303503-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
WO-2002006189-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 WO disclosed