SCHEMBL9258098

SCHEMBL9258098

BrCCCCCCCCOCCCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SIGMAR1 Q99720 3/20 0.47
IDO1 P14902 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
MAOA P21397 1/20 0.45
PLA2G4B P0C869 1/20 0.44
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL6942905 1.00 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL10477865 1.00 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL9257077 1.00 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL454150 1.00 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL7621746 1.00 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL9574235 1.00 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL9258414 0.98 TDP1 (0.52) TDP1L3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL9262777 0.96 IDO1 (0.52) TDP1L3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL9257411 0.96 IDO1 (0.52) TDP1L3MBTL1MEN1KMT2ASIGMAR1
SCHEMBL10465461 0.96 TDP1 (0.53) TDP1L3MBTL1MEN1KMT2ASIGMAR1

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-1995019336-A1 PHENYL ETHANOL AMINE ETHERS AND USES THEREOF AS β-ADRENO-RECEPTOR AGONISTS IOVIS BIOMEDICAL AND PHARMACEUTICAL CONSULTANTS (NL) 1995-07-20 WO disclosed