SCHEMBL5971602

SCHEMBL5971602

C=CCN(C)CCCCCc1ccc2c(c1)CC(C(=S)NCc1ccc(Cl)cc1)N2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.33
HRH2 P25021 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GAA P10253 1/20 0.31
MCHR1 Q99705 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 1/20 0.30
ALOX12 P18054 1/20 0.30

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
SCHEMBL7217087 0.83 LSS (0.35) LSS
SCHEMBL7218473 0.83 LSS (0.41) LSSMEN1KMT2A
SCHEMBL7218464 0.81 LSS (0.41) LSSMEN1KMT2A
SCHEMBL7218488 0.80 GAA (0.40) LSSMAPTGAAMEN1KMT2A
SCHEMBL7217084 0.79 LSS (0.36) LSSMEN1KMT2A
SCHEMBL7218501 0.76 LSS (0.45) LSSMAPTGAA
SCHEMBL7218485 0.76 LSS (0.36) LSSMEN1KMT2A
SCHEMBL7218354 0.75 HDAC8 (0.35) LSSALDH1A1MEN1KMT2ALMNA
SCHEMBL5635991 0.75 THRB (0.44) MAPTMEN1KMT2ALMNA
SCHEMBL7212168 0.74 LSS (0.47) 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-1358162-B1 DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-02-08 EP claimed