SCHEMBL27352015

SCHEMBL27352015

Cc1cn(CC(C)O)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ASH1L Q9NR48 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
KDM4E B2RXH2 1/20 0.46
KAT2B Q92831 1/20 0.46
SLC6A2 P23975 4/20 0.44
SLC6A4 P31645 3/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
BACE1 P56817 2/20 0.42
PLK1 P53350 2/20 0.41
DHFR P00374 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL8613304 0.86 MEN1 (0.51) PRMT5MEN1KMT2AHDAC1HDAC2
SCHEMBL27343269 0.83 HTR2C (0.64) PRMT5MEN1KMT2AHDAC1HDAC2
SCHEMBL3772065 0.80 HTR2A (0.49) PRMT5MEN1KMT2AASH1LHDAC1
SCHEMBL27623160 0.79 HDAC1 (0.46) PRMT5MEN1KMT2AHDAC1HDAC2
SCHEMBL8186052 0.78 MEN1 (0.58) PRMT5MEN1KMT2AASH1LHDAC1
SCHEMBL8959689 0.78 HTR2C (0.71) PRMT5MEN1KMT2AASH1LKDM4E
SCHEMBL8959700 0.78 HTR2C (0.71) PRMT5MEN1KMT2AASH1LKDM4E
SCHEMBL8959518 0.78 PER2 (0.40) ASH1LHTR2AHTR2C
SCHEMBL8959520 0.78 PER2 (0.40) ASH1LHTR2AHTR2C
SCHEMBL665932 0.76 MEN1 (0.56) PRMT5MEN1KMT2AHDAC1HDAC2

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
CN-1061341-C 1-amino-ethylindole-derivatives HOFFMANN LA ROCHE (CH) 2001-01-31 CN disclosed
CN-1105988-A 1-amino-ethylindole-derivatives HOFFMANN LA ROCHE (CH) 1995-08-02 CN disclosed