SCHEMBL9965018

SCHEMBL9965018

CNCCOc1ccc(N)c2c(C)c(C)[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 4/20 0.43
KDM4E B2RXH2 5/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR1D P28221 2/20 0.36
L3MBTL4 Q8NA19 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HRH1 P35367 2/20 0.33
SLC6A4 P31645 1/20 0.33
TRPA1 O75762 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL9964962 0.83 KDM4E (0.45) KDM4EGAAMEN1POLBMAPT
SCHEMBL9970787 0.83 POLB (0.49) KDM4EGAAMEN1POLBMAPT
SCHEMBL9965024 0.82 KDM4E (0.38) KDM4EGAAMEN1POLBMAPT
SCHEMBL9964968 0.81 MAPT (0.49) KDM4EGAAMEN1POLBMAPT
SCHEMBL9964966 0.81 KDM4E (0.43) HTR1BKDM4EGAAMEN1POLB
SCHEMBL9965014 0.79 SMN1; SMN2 (0.37) KDM4EGAAMEN1POLBMAPT
SCHEMBL9965002 0.77 MEN1 (0.40) KDM4EGAAMEN1POLBMAPT
SCHEMBL9964989 0.76 SMN1; SMN2 (0.47) KDM4EGAAMEN1POLBMAPT
SCHEMBL9964977 0.76 MEN1 (0.73) KDM4EGAAMEN1POLBMAPT
SCHEMBL9964980 0.76 SMN1; SMN2 (0.49) KDM4EMEN1POLBKMT2ATDP1

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
WO-2012080288-A1 4-AMINOINDOLE DERIVATIVES AND USE THEREOF FOR THE OXIDATION DYEING OF KERATIN FIBRES L'OREAL (FR) 2012-06-21 WO disclosed