SCHEMBL7217093

SCHEMBL7217093

C=CCN(C)CCCCCc1ccc2c(c1)CC(C(=O)Nc1ccc3ccccc3c1)N2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.38
HDAC1 Q13547 3/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
LSS P48449 2/20 0.36
MEN1 O00255 3/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL7218354 0.88 HDAC8 (0.35) HDAC1HDAC8HDAC2HDAC3HDAC6
SCHEMBL7218488 0.81 GAA (0.40) LSSMEN1MAPTKMT2AGAA
SCHEMBL7218501 0.81 LSS (0.45) SIGMAR1LSSMAPTGAA
SCHEMBL7217084 0.81 LSS (0.36) LSSMEN1KMT2A
SCHEMBL7217087 0.78 LSS (0.35) SIGMAR1LSS
SCHEMBL7218485 0.77 LSS (0.36) LSSMEN1KMT2A
SCHEMBL5637808 0.77 SMN1; SMN2 (0.43) SIGMAR1HDAC1HDAC8HDAC2HDAC3
SCHEMBL7218473 0.76 LSS (0.41) LSSMEN1KMT2A
SCHEMBL7212168 0.76 LSS (0.47) LSSMEN1KMT2ASMN1; SMN2
SCHEMBL7218497 0.76 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 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